2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide

C20H19ClN4O2 — CID 109266859

IUPAC2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ncc(C(=O)Nc2cc(C)cc(C)c2)cn1
InChIInChI=1S/C20H19ClN4O2/c1-12-6-13(2)8-16(7-12)24-19(26)14-10-22-20(23-11-14)25-17-9-15(21)4-5-18(17)27-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyPIXXLTWTZFADBR-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.75
Rot. Bonds5

About 2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide

2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109266859) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109266859
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1Nc1ncc(C(=O)Nc2cc(C)cc(C)c2)cn1
InChIInChI=1S/C20H19ClN4O2/c1-12-6-13(2)8-16(7-12)24-19(26)14-10-22-20(23-11-14)25-17-9-15(21)4-5-18(17)27-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyPIXXLTWTZFADBR-UHFFFAOYSA-N
XLogP4.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-5-carboxamide
CID 109266866
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109268468
2-(2-methoxy-5-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265712
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109267230
2-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256158
N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
N-(3-chlorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109268715
2-(4-chloroanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109268889
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263675
N-(5-chloro-2-methoxyphenyl)-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109357005

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide (CID 109266859) is 2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide is COc1ccc(Cl)cc1Nc1ncc(C(=O)Nc2cc(C)cc(C)c2)cn1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is PIXXLTWTZFADBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-12-6-13(2)8-16(7-12)24-19(26)14-10-22-20(23-11-14)25-17-9-15(21)4-5-18(17)27-3/h4-11H,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide?
2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).