2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide

C19H17ClN4O2 — CID 109316717

IUPAC2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C19H17ClN4O2/c1-12-7-8-17(26-2)16(11-12)22-18(25)15-9-10-21-19(24-15)23-14-6-4-3-5-13(14)20/h3-11H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyOFVBKOAYCJBBRN-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.44
Rot. Bonds5

About 2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide

2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109316717) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109316717
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C19H17ClN4O2/c1-12-7-8-17(26-2)16(11-12)22-18(25)15-9-10-21-19(24-15)23-14-6-4-3-5-13(14)20/h3-11H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyOFVBKOAYCJBBRN-UHFFFAOYSA-N
XLogP4.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336963
2-N-(2-chlorophenyl)-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100814
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109315477
2-(3,4-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317940
2-(2,4-difluoroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317953
N-(2-methoxyphenyl)-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109314028
2-(2,5-dimethoxyanilino)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109314928
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
5-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109292670
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
N-(2-methoxy-5-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306967
2-(2-methoxy-5-methylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304129

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide (CID 109316717) is 2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide is COc1ccc(C)cc1NC(=O)c1ccnc(Nc2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is OFVBKOAYCJBBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-7-8-17(26-2)16(11-12)22-18(25)15-9-10-21-19(24-15)23-14-6-4-3-5-13(14)20/h3-11H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide?
2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).