N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide

C22H22N4O2 — CID 109369209

IUPACN-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NC(C)c3ccccc3)nc(C)n2)c1
InChIInChI=1S/C22H22N4O2/c1-14(17-8-5-4-6-9-17)23-21-13-20(24-16(3)25-21)22(28)26-19-11-7-10-18(12-19)15(2)27/h4-14H,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyNOUHKKLEGPIJGT-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.41
Rot. Bonds6

About N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide

N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109369209) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109369209
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NC(C)c3ccccc3)nc(C)n2)c1
InChIInChI=1S/C22H22N4O2/c1-14(17-8-5-4-6-9-17)23-21-13-20(24-16(3)25-21)22(28)26-19-11-7-10-18(12-19)15(2)27/h4-14H,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyNOUHKKLEGPIJGT-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-phenyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369164
N-(3-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369217
N-(4-fluorophenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369187
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
6-(3-acetamidoanilino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369313
6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849053
N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368581
6-(3-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850806
methyl 3-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280992
N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846543
6-(4-acetamidoanilino)-2-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109369314
N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109328055

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide (CID 109369209) is N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(NC(C)c3ccccc3)nc(C)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is NOUHKKLEGPIJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(17-8-5-4-6-9-17)23-21-13-20(24-16(3)25-21)22(28)26-19-11-7-10-18(12-19)15(2)27/h4-14H,1-3H3,(H,26,28)(H,23,24,25).
What are the key properties of N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109369209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).