6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide

C19H17ClN4O — CID 109356960

IUPAC6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3ccccc3Cl)ncn2)cc1C
InChIInChI=1S/C19H17ClN4O/c1-12-7-8-14(9-13(12)2)23-19(25)17-10-18(22-11-21-17)24-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyJDCSGGHXFTUPOL-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.74
Rot. Bonds4

About 6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide

6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109356960) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109356960
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Nc3ccccc3Cl)ncn2)cc1C
InChIInChI=1S/C19H17ClN4O/c1-12-7-8-14(9-13(12)2)23-19(25)17-10-18(22-11-21-17)24-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyJDCSGGHXFTUPOL-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-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356962
methyl 4-[[6-(2-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358072
6-(4-acetamidoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356977
N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357083
6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338941
6-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356981
6-(3,4-difluoroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109356996
4-N-(2-chlorophenyl)-2-N-(3,4-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091921
N-(3,4-dimethylphenyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356982
N-(3-acetylphenyl)-6-(3-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109358316
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347558

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide (CID 109356960) is 6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(Nc3ccccc3Cl)ncn2)cc1C.
What is the InChIKey of 6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is JDCSGGHXFTUPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-7-8-14(9-13(12)2)23-19(25)17-10-18(22-11-21-17)24-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 6-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
6-(2-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-(2-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109356960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).