6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide

C19H17ClN4O — CID 109356962

IUPAC6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3ccc(Cl)cc3)ncn2)cc1C
InChIInChI=1S/C19H17ClN4O/c1-12-3-6-16(9-13(12)2)24-19(25)17-10-18(22-11-21-17)23-15-7-4-14(20)5-8-15/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyLFAMUFLIIHHFRQ-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.74
Rot. Bonds4

About 6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide

6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109356962) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109356962
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3ccc(Cl)cc3)ncn2)cc1C
InChIInChI=1S/C19H17ClN4O/c1-12-3-6-16(9-13(12)2)24-19(25)17-10-18(22-11-21-17)23-15-7-4-14(20)5-8-15/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyLFAMUFLIIHHFRQ-UHFFFAOYSA-N
XLogP4.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-acetamidoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356977
6-(3,4-difluoroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356996
6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356981
6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356960
N-(3,4-dimethylphenyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356982
6-(4-chloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356798
methyl 3-[[6-(4-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358245
6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358265
N-(4-chloro-2-methylphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358471
6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109358556

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide (CID 109356962) is 6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(Nc3ccc(Cl)cc3)ncn2)cc1C.
What is the InChIKey of 6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is LFAMUFLIIHHFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-3-6-16(9-13(12)2)24-19(25)17-10-18(22-11-21-17)23-15-7-4-14(20)5-8-15/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).