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

C19H17ClN4O — CID 109315052

IUPAC2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3ccc(Cl)cc3)n2)cc1C
InChIInChI=1S/C19H17ClN4O/c1-12-3-6-16(11-13(12)2)22-18(25)17-9-10-21-19(24-17)23-15-7-4-14(20)5-8-15/h3-11H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyDYDLVIDFSXSOFA-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.74
Rot. Bonds4

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

2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315052) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109315052
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3ccc(Cl)cc3)n2)cc1C
InChIInChI=1S/C19H17ClN4O/c1-12-3-6-16(11-13(12)2)22-18(25)17-9-10-21-19(24-17)23-15-7-4-14(20)5-8-15/h3-11H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyDYDLVIDFSXSOFA-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

N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314987
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921
ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315091
2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109314974
2-(4-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316132
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315086
2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109314998
N-(2,4-difluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109315022
2-(4-acetylanilino)-N-(5-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109317161
2-(4-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109316960
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295039

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide (CID 109315052) is 2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(Nc3ccc(Cl)cc3)n2)cc1C.
What is the InChIKey of 2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DYDLVIDFSXSOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-3-6-16(11-13(12)2)22-18(25)17-9-10-21-19(24-17)23-15-7-4-14(20)5-8-15/h3-11H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
2-(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 2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).