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

C22H22N4O2 — CID 112849254

IUPACN-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Nc3cccc(C)c3C)nc(C)n2)cc1
InChIInChI=1S/C22H22N4O2/c1-13-6-5-7-19(14(13)2)26-21-12-20(23-16(4)24-21)22(28)25-18-10-8-17(9-11-18)15(3)27/h5-12H,1-4H3,(H,25,28)(H,23,24,26)
InChIKeyHGRZXGORFNNIDU-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.60
Rot. Bonds5

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

N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849254) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112849254
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(Nc3cccc(C)c3C)nc(C)n2)cc1
InChIInChI=1S/C22H22N4O2/c1-13-6-5-7-19(14(13)2)26-21-12-20(23-16(4)24-21)22(28)25-18-10-8-17(9-11-18)15(3)27/h5-12H,1-4H3,(H,25,28)(H,23,24,26)
InChIKeyHGRZXGORFNNIDU-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

N-(4-cyanophenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849269
methyl 4-[[6-[(2,3-dimethylphenyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112849299
N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850552
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850845
methyl 2-[[6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 112849257
6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849053
6-(4-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850834
6-(3-chloro-2-methylanilino)-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112850200
6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360277
N-(4-acetylphenyl)-2-(2,3-dimethylanilino)benzamide
CID 18207871
1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide (CID 112849254) is N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(Nc3cccc(C)c3C)nc(C)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is HGRZXGORFNNIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-13-6-5-7-19(14(13)2)26-21-12-20(23-16(4)24-21)22(28)25-18-10-8-17(9-11-18)15(3)27/h5-12H,1-4H3,(H,25,28)(H,23,24,26).
What are the key properties of N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
N-(4-acetylphenyl)-6-(2,3-dimethylanilino)-2-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)-6-(2,3-dimethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).