2-(2-Amino-2-propanyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide

Basic Information

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CAS Number

518048-03-8

Molecular Formula

C16H19FN4O3

Molecular Weight

334.35 g/mol

Basic Physical Properties

Melting Point

105-107°C

Boiling Point

567.4°C at 760 mmHg

Density

1.35

SMILES

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CC(C)(C1=NC(=C(C(=O)N1C)O)C(=O)NCC2=CC=C(C=C2)F)N

InChI

InChI=1S/C16H19FN4O3/c1-16(2,18)15-20-11(12(22)14(24)21(15)3)13(23)19-8-9-4-6-10(17)7-5-9/h4-7,22H,8,18H2,1-3H3,(H,19,23)

InChIKey

AQLZTHZLYFFVIJ-UHFFFAOYSA-N

LogP

0.7487999999999996

Topological Polar Surface Area

110.24000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 7

Complexity

592

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carbox
DTXSID50716265
DS-1539
SCHEMBL1151004
2-(2-Aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihy dropyrimidine-4-carboxami
2-(1-AMINO-1-METHYL-ETHYL)-HYDROXY-1-METHYL-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXYLIC ACID 4-FLUORO-BENZYLAMIDE
ZB1810
5U1A5S652K
2-(2-aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
2-(2-AMINOPROPAN-2-YL)-N-((4-FLUOROPHENYL)METHYL)-5-HYDROXY-1-METHYL-6-OXO-1,6-DIHYDROPYRIMIDINE-4-CARBOXAMIDE
MFCD10698741
J-505521
RALTEGRAVIR IMPURITY A [EP IMPURITY]
SB57948
2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
2-(2-Aminopropan-2-yl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxami
2-(1-amino-1-methyl-ethyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-pyrimidine-4-carboxylic acid 4-fluoro-benzylamide
AKOS015899148
C16H19FN4O3
4-Pyrimidinecarboxamide, 2-(1-amino-1-methylethyl)-N-((4-fluorophenyl)methyl)-1,6-dihydro-5-hydroxy-1-methyl-6-oxo-
2-(2-aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide
RALTEGRAVIR IMPURITY, RALTEGRAVIR AMINE [USP IMPURITY]
AM85799
FT-0661911
NS00002534
CS-W000543
518048-03-8
AC-1805
AQLZTHZLYFFVIJ-UHFFFAOYSA-N
UNII-5U1A5S652K
A852177

MDL Number

MFCD10698741

Customs Code

2933599090

FAQ

What regulatory guidelines apply to 2-(2-Amino-2-propanyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide (CAS: 518048-03-8)?

The compound 2-(2-Amino-2-propanyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide (CAS: 518048-03-8) falls under the scope of various regulatory guidelines. It is classified under the Globally Harmonized System (GHS) for hazardous chemicals, which includes specific safety data sheets (SDS) and labeling requirements. In the European Union, it is governed by the REACH regulation, which requires manufacturers and importers to register the chemical and provide safety information. Additionally, the FDA and EPA may have specific requirements regarding its handling and use in pharmaceutical and environmental contexts.

Are there alternatives to 2-(2-Amino-2-propanyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide (CAS: 518048-03-8) in synthesis?

There are several alternatives to 2-(2-Amino-2-propanyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide (CAS: 518048-03-8) in synthesis. Researchers often explore analogs such as 5-hydroxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide or its derivatives with different functional groups. Common alternative reagents include amino acids, fluorobenzyl derivatives, and other pyrimidine derivatives that can offer similar biological activities but with potentially different synthetic routes and properties.

What is the market or research trend for 2-(2-Amino-2-propanyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide (CAS: 518048-03-8)?

The market and research trends for 2-(2-Amino-2-propanyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide (CAS: 518048-03-8) are closely tied to its application in various fields. It is increasingly being studied for its potential in medicinal chemistry, particularly in the development of new drugs for treating certain diseases. Market trends indicate a growing interest in the compound's biological properties, leading to more research into its mechanisms of action and therapeutic potential. Additionally, there is a trend towards optimizing its synthesis and improving its pharmacological profile.

How should waste containing 2-(2-Amino-2-propanyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide (CAS: 518048-03-8) be handled?

Waste containing 2-(2-Amino-2-propanyl)-N-(4-fluorobenzyl)-5-hydroxy-1-methyl-6-oxo-1,6-dihydro-4-pyrimidinecarboxamide (CAS: 518048-03-8) should be handled according to the waste management regulations and safety guidelines. Waste liquid should be collected in appropriate containers and stored in a well-ventilated area. For solid waste, it should be disposed of through professional waste disposal services that adhere to environmental protection standards. Incineration may be another option, but it should be conducted in a controlled environment to minimize environmental impact. Always ensure that the waste is managed in compliance with local, national, and international regulations, including SDS and GHS guidelines.