6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide

C19H17ClN4O2 — CID 109356291

IUPAC6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(C)cc3)ncn2)cc1Cl
InChIInChI=1S/C19H17ClN4O2/c1-12-3-5-13(6-4-12)24-19(25)16-10-18(22-11-21-16)23-14-7-8-17(26-2)15(20)9-14/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyTXVYXIFAVAYUQJ-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.44
Rot. Bonds5

About 6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide

6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109356291) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109356291
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)Nc3ccc(C)cc3)ncn2)cc1Cl
InChIInChI=1S/C19H17ClN4O2/c1-12-3-5-13(6-4-12)24-19(25)16-10-18(22-11-21-16)23-14-7-8-17(26-2)15(20)9-14/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyTXVYXIFAVAYUQJ-UHFFFAOYSA-N
XLogP4.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355828
N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358617
N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358631
6-(3,4-dimethoxyanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109357654
N-butyl-6-(3-chloro-4-methoxyanilino)pyrimidine-4-carboxamide
CID 109340122
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289
N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109358003
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
N-(3-chloro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 16805593
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
6-(3,5-dichloroanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358963

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109356291) is 6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide is COc1ccc(Nc2cc(C(=O)Nc3ccc(C)cc3)ncn2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is TXVYXIFAVAYUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-3-5-13(6-4-12)24-19(25)16-10-18(22-11-21-16)23-14-7-8-17(26-2)15(20)9-14/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide?
6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).