N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide

C21H19ClN4O2 — CID 109337194

IUPACN-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C)nc(Nc3cccc(Cl)c3C)n2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-12-11-19(20(28)24-16-9-7-15(8-10-16)14(3)27)26-21(23-12)25-18-6-4-5-17(22)13(18)2/h4-11H,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyBDXMGQKYGPHJRH-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.95
Rot. Bonds5

About N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide

N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109337194) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109337194
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C)nc(Nc3cccc(Cl)c3C)n2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-12-11-19(20(28)24-16-9-7-15(8-10-16)14(3)27)26-21(23-12)25-18-6-4-5-17(22)13(18)2/h4-11H,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyBDXMGQKYGPHJRH-UHFFFAOYSA-N
XLogP4.95
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334677
N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109335926
2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109334854
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337359
2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336804
N-(3-acetylphenyl)-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337269
N-(3-chloro-2-methylphenyl)-2-(3-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337215
N-butyl-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109320719
N-(4-acetylphenyl)-6-(3-chloro-2-methylanilino)pyridine-3-carboxamide
CID 109163537
2-(3-chloro-2-methylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327950
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide (CID 109337194) is N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(C)nc(Nc3cccc(Cl)c3C)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is BDXMGQKYGPHJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-12-11-19(20(28)24-16-9-7-15(8-10-16)14(3)27)26-21(23-12)25-18-6-4-5-17(22)13(18)2/h4-11H,1-3H3,(H,24,28)(H,23,25,26).
What are the key properties of N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide?
N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109337194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).