2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide

C19H17ClN4O — CID 109267000

IUPAC2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C19H17ClN4O/c1-12-5-3-6-13(2)17(12)24-18(25)14-10-21-19(22-11-14)23-16-8-4-7-15(20)9-16/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyRHXFWBKCLGKDRP-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.74
Rot. Bonds4

About 2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide

2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267000) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109267000
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(Cl)c2)nc1
InChIInChI=1S/C19H17ClN4O/c1-12-5-3-6-13(2)17(12)24-18(25)14-10-21-19(22-11-14)23-16-8-4-7-15(20)9-16/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyRHXFWBKCLGKDRP-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

2-(3-chloroanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268705
2-(3-acetamidoanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268731
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
N-(3-acetylphenyl)-2-(3-chloroanilino)pyrimidine-5-carboxamide
CID 109268784
N-(3-chlorophenyl)-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109268746
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
N-(3-chlorophenyl)-2-(2,6-dichloroanilino)pyrimidine-5-carboxamide
CID 109268750
2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109267067
2-(3-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268814
N-(3-chlorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266466
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265605
2-(4-tert-butylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268292

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide (CID 109267000) is 2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide is Cc1cccc(C)c1NC(=O)c1cnc(Nc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is RHXFWBKCLGKDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-5-3-6-13(2)17(12)24-18(25)14-10-21-19(22-11-14)23-16-8-4-7-15(20)9-16/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
2-(3-chloroanilino)-N-(2,6-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-(3-chloroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).