4-Methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzoic acid

Basic Information

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CAS Number

641569-94-0

Molecular Formula

C17H14N4O2

Molecular Weight

306.33 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

268-271°C

Boiling Point

587.9°C at 760 mmHg

Density

1.336

SMILES

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CC1=C(C=C(C=C1)C(=O)O)NC2=NC=CC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C17H14N4O2/c1-11-4-5-12(16(22)23)9-15(11)21-17-19-8-6-14(20-17)13-3-2-7-18-10-13/h2-10H,1H3,(H,22,23)(H,19,20,21)

InChIKey

LDLZPHLSVKGFSC-UHFFFAOYSA-N

LogP

3.288820000000001

Topological Polar Surface Area

88.0 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

406

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

4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid
4-methyl-3-(4-(pyridine-3-yl)pyrimidin-2-ylamino)benzoic acid
4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzoic acid
4-Methyl-3-((4-(3-pyridyl)pyrimidin-2-yl)amino)benzoic acid
4-Methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzoic Acid
FT-0655847
4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoic acid
4-Methyl-3-[[4-(3-pyridyl)-2-pyrimidinyl]amino]benzoic Acid
4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid
SCHEMBL533540
SB57892
LDLZPHLSVKGFSC-UHFFFAOYSA-N
DTXSID90439380
Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-; 4-Methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid; Nilotinib Hydrochloride Monohydrate Impurity D; Nilotinib Impurity D
Nilotinib hydrochloride monohydrate impurity D [EP]
SY107567
PS-7101
4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid
4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoic acid
Q-101350
NILOTINIB HYDROCHLORIDE MONOHYDRATE IMPURITY D [EP IMPURITY]
UNII-TQ9WCS4PF0
CS-0009198
4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoicacid
641569-94-0
BCP04528
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic Acid
AM20090654
C17H14N4O2
Benzoic acid, 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-
4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)benzoic acid;4-Methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)benzoic acid

MDL Number

MFCD11521324

Customs Code

2933990090

FAQ

What is 4-Methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzoic acid (CAS: 641569-94-0)?

4-Methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzoic acid (CAS: 641569-94-0) is a synthetic organic compound with the molecular formula C14H13N3O2. It features a benzoic acid core with a methyl group and an amide-linked pyrimidine ring substituted with a pyridinyl group. The compound is typically a white solid with moderate solubility in polar solvents and exhibits structural complexity typical of heterocyclic derivatives.

What are the main uses of 4-Methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzoic acid (CAS: 641569-94-0)?

4-Methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzoic acid (CAS: 641569-94-0) is primarily used as a pharmaceutical intermediate in the development of antifungal and antiviral drugs. Its unique structure makes it valuable in research for studying enzyme inhibition and molecular interactions. It may also find applications in chemical synthesis and specialty industrial processes requiring functional group versatility.

Is 4-Methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzoic acid (CAS: 641569-94-0) safe?

4-Methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzoic acid (CAS: 641569-94-0) is generally considered safe when handled according to standard chemical safety protocols. However, it may pose risks if inhaled, ingested, or exposed to skin, necessitating proper protective equipment. Safety data should be confirmed via its Safety Data Sheet (SDS), and compliance with OSHA and EPA guidelines is recommended for safe use.

How should 4-Methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzoic acid (CAS: 641569-94-0) be stored?

4-Methyl-3-{[4-(3-pyridinyl)-2-pyrimidinyl]amino}benzoic acid (CAS: 641569-94-0) should be stored in a sealed container at controlled room temperature (15-25°C) and low humidity. It is sensitive to light, so storage in a dark, cool place is essential. Avoid exposure to moisture or heat to maintain stability, and ensure proper ventilation to minimize inhalation risks.