2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

C18H15ClN4O — CID 109313921

IUPAC2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H15ClN4O/c1-12-3-2-4-15(11-12)21-17(24)16-9-10-20-18(23-16)22-14-7-5-13(19)6-8-14/h2-11H,1H3,(H,21,24)(H,20,22,23)
InChIKeyDOGOKGISUGZRDS-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109313921) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109313921
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(Nc3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C18H15ClN4O/c1-12-3-2-4-15(11-12)21-17(24)16-9-10-20-18(23-16)22-14-7-5-13(19)6-8-14/h2-11H,1H3,(H,21,24)(H,20,22,23)
InChIKeyDOGOKGISUGZRDS-UHFFFAOYSA-N
XLogP4.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315052
methyl 3-[[4-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109313951
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
N-(3,4-difluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315178
N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313884
2-(4-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316132
N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313868
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
N-(3-acetylphenyl)-2-anilinopyrimidine-4-carboxamide
CID 109313448
2-(3-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316131

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109313921) is 2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2ccnc(Nc3ccc(Cl)cc3)n2)c1.
What is the InChIKey of 2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DOGOKGISUGZRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-12-3-2-4-15(11-12)21-17(24)16-9-10-20-18(23-16)22-14-7-5-13(19)6-8-14/h2-11H,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).