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

C22H22N4O2 — CID 109368581

IUPACN-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NCc3ccccc3C)nc(C)n2)c1
InChIInChI=1S/C22H22N4O2/c1-14-7-4-5-8-18(14)13-23-21-12-20(24-16(3)25-21)22(28)26-19-10-6-9-17(11-19)15(2)27/h4-12H,13H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyATARKBCHVPJJQX-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.16
Rot. Bonds6

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

N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109368581) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109368581
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NCc3ccccc3C)nc(C)n2)c1
InChIInChI=1S/C22H22N4O2/c1-14-7-4-5-8-18(14)13-23-21-12-20(24-16(3)25-21)22(28)26-19-10-6-9-17(11-19)15(2)27/h4-12H,13H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyATARKBCHVPJJQX-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-(3-chloro-4-methylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368566
N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371046
6-[(2-chlorophenyl)methylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109369971
N-(5-chloro-2-methylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368564
6-(3-acetylanilino)-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849053
6-(3-acetamidoanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368688
N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368361
methyl 3-[[6-[(2-methylphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109346873
2-methyl-6-[(2-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109368512
methyl 3-[[2-methyl-6-[(2-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112871753
N-(3-acetylphenyl)-2-methyl-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109369209
4-N-(3-acetylphenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046836

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109368581) is N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(NCc3ccccc3C)nc(C)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is ATARKBCHVPJJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-7-4-5-8-18(14)13-23-21-12-20(24-16(3)25-21)22(28)26-19-10-6-9-17(11-19)15(2)27/h4-12H,13H2,1-3H3,(H,26,28)(H,23,24,25).
What are the key properties of N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-methyl-6-[(2-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)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109368581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).