N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide

C22H22N4O2 — CID 109327646

IUPACN-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C)nc(NCc3cccc(C)c3)n2)c1
InChIInChI=1S/C22H22N4O2/c1-14-6-4-7-17(10-14)13-23-22-24-15(2)11-20(26-22)21(28)25-19-9-5-8-18(12-19)16(3)27/h4-12H,13H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyHGXQMXYQFMECSN-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.16
Rot. Bonds6

About N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109327646) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109327646
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C)nc(NCc3cccc(C)c3)n2)c1
InChIInChI=1S/C22H22N4O2/c1-14-6-4-7-17(10-14)13-23-22-24-15(2)11-20(26-22)21(28)25-19-9-5-8-18(12-19)16(3)27/h4-12H,13H2,1-3H3,(H,25,28)(H,23,24,26)
InChIKeyHGXQMXYQFMECSN-UHFFFAOYSA-N
XLogP4.16
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327627
N-(1,3-benzodioxol-5-yl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327655
N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333144
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327667
N-(3-acetylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224356
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
2-(3-acetylanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327306
2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109326828
N-(3-bromophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329959
2-(3-acetylanilino)-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337165
methyl 3-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109368796
methyl 3-[[4-methyl-6-[(3-methylphenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109327758

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109327646) is N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(C)nc(NCc3cccc(C)c3)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is HGXQMXYQFMECSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-6-4-7-17(10-14)13-23-22-24-15(2)11-20(26-22)21(28)25-19-9-5-8-18(12-19)16(3)27/h4-12H,13H2,1-3H3,(H,25,28)(H,23,24,26).
What are the key properties of N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109327646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).