3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

Basic Information

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CAS Number

3680-71-5

Molecular Formula

C6H5N3O

Molecular Weight

135.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Yellow to Brown Solid

Melting Point

345°C

Boiling Point

473°C at 760 mmHg

Density

1.62

Flash Point

191.4℃

Solubility

Soluble in dimethyl sulfoxide.

Refractive Index

1.784

SMILES

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C1=CNC2=C1C(=O)NC=N2

InChI

InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)

InChIKey

FBMZEITWVNHWJW-UHFFFAOYSA-N

LogP

0.2512

Topological Polar Surface Area

61.54 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

189

Safety Information

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GHS Hazard Pictograms

H317

H319

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Moisture & Light Sensitive

Synonyms & References

English

1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
W-202520
HY-77543
3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
AKOS006238153
AKOS015918740
7H-Pyrrolo[2,3-d]pyrimidine-4-ol
NSC59251
4-hydroxypyrrolo [2,3-d]pyrimidine
MFCD08445809
4H-Pyrrolo[2, 1,7-dihydro-
CS-M1987
AKOS005257875
4-Hydroxypyrrolo(2,3-d)pyrimidine
3,7-dihydro-pyrrolo [2, 3-d] pyrimidine-4-one
7H-Pyrrolo[2,3-d]pyrimidin-4-ol
FT-0650381
3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
Pyrrolo[2,3-d]pyrimidin-4-ol
SY007658
NSC 59251
CL3426
AC-3601
BCP01152
4-Hydroxypyrrolopyrimidine
1H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
4-Hydroxy-7H-pyrrolo[2,3-d]pyrimidine
4-hydroxypyrrolo[2,3-d]pyrimidine
Pyrrolo(2,3-d)pyrimidin-4-one
1,7-Dihydro-4H-pyrrolo(2,3-d)pyrimidin-4-one

MDL Number

MFCD19160679

Customs Code

2933990090

FAQ

What is 3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS: 3680-71-5)?

3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS: 3680-71-5) is a heterocyclic organic compound with the chemical formula C5H5N2O. It is a pyrimidine ring fused with a pyrrole ring, featuring a ketone group and a hydroxyl group. This compound is known for its structural versatility in pharmaceutical and chemical synthesis applications.

What are the main uses of 3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS: 3680-71-5)?

3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS: 3680-71-5) is widely used in pharmaceutical research as a building block for drug development, particularly in antiviral and anticancer therapies. It also serves as an intermediate in the synthesis of various organic compounds and is relevant in chemical research for its reactivity and structural adaptability.

Is 3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS: 3680-71-5) safe?

3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS: 3680-71-5) requires careful handling due to its potential chemical reactivity. Safety data indicates it may pose risks to health if inhaled or ingested, so protective measures like gloves, goggles, and proper ventilation are recommended. Always follow safety guidelines from regulatory agencies and manufacturers for safe use.

How should 3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS: 3680-71-5) be stored?

3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS: 3680-71-5) should be stored in a cool, dry place away from light. Keep it in a sealed, airtight container made of inert material to maintain stability. Avoid exposure to moisture and incompatible substances to preserve its chemical integrity and ensure safety.