N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide

C22H22N4O2 — CID 109335926

IUPACN-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C)nc(Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C22H22N4O2/c1-13-9-14(2)11-19(10-13)25-22-23-15(3)12-20(26-22)21(28)24-18-7-5-17(6-8-18)16(4)27/h5-12H,1-4H3,(H,24,28)(H,23,25,26)
InChIKeyPNWWGGHNEUOBHH-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.60
Rot. Bonds5

About N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide

N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109335926) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109335926
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C)nc(Nc3cc(C)cc(C)c3)n2)cc1
InChIInChI=1S/C22H22N4O2/c1-13-9-14(2)11-19(10-13)25-22-23-15(3)12-20(26-22)21(28)24-18-7-5-17(6-8-18)16(4)27/h5-12H,1-4H3,(H,24,28)(H,23,25,26)
InChIKeyPNWWGGHNEUOBHH-UHFFFAOYSA-N
XLogP4.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.60
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
1-[4-[[4-(3,5-dimethylanilino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112928284
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337359
2-(4-acetylanilino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109334854
2-(4-bromoanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335162
N-(4-acetylphenyl)-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109337194
methyl 4-[[6-methyl-2-(4-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109335103
methyl 4-[[4-methyl-6-[(4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109335183
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335973
2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid
CID 71689152
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165
2-(4-acetylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336804

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide (CID 109335926) is N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(C)nc(Nc3cc(C)cc(C)c3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is PNWWGGHNEUOBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-9-14(2)11-19(10-13)25-22-23-15(3)12-20(26-22)21(28)24-18-7-5-17(6-8-18)16(4)27/h5-12H,1-4H3,(H,24,28)(H,23,25,26).
What are the key properties of N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide?
N-(4-acetylphenyl)-2-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.60, 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-(3,5-dimethylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109335926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).