2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide

C19H17ClN4O — CID 109266851

IUPAC2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2)c1
InChIInChI=1S/C19H17ClN4O/c1-12-7-13(2)9-17(8-12)23-18(25)14-10-21-19(22-11-14)24-16-5-3-15(20)4-6-16/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyMCFMFTUSRVOEDM-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.74
Rot. Bonds4

About 2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide

2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109266851) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109266851
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2)c1
InChIInChI=1S/C19H17ClN4O/c1-12-7-13(2)9-17(8-12)23-18(25)14-10-21-19(22-11-14)24-16-5-3-15(20)4-6-16/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyMCFMFTUSRVOEDM-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-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
2-(3,4-difluoroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266908
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266931
N-(3,5-dimethylphenyl)-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109266838
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268910
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266930
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109266917
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268911

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide (CID 109266851) is 2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide is Cc1cc(C)cc(NC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2)c1.
What is the InChIKey of 2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is MCFMFTUSRVOEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-7-13(2)9-17(8-12)23-18(25)14-10-21-19(22-11-14)24-16-5-3-15(20)4-6-16/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-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-(3,5-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).