N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide

C15H16N4O2 — CID 110861303

IUPACN-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C)nc(C)n2)c1
InChIInChI=1S/C15H16N4O2/c1-9-7-14(17-10(2)16-9)15(21)19-13-6-4-5-12(8-13)18-11(3)20/h4-8H,1-3H3,(H,18,20)(H,19,21)
InChIKeyAFSUXYOTYAOFLL-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.30
Rot. Bonds3

About N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide

N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 110861303) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID110861303
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(C)nc(C)n2)c1
InChIInChI=1S/C15H16N4O2/c1-9-7-14(17-10(2)16-9)15(21)19-13-6-4-5-12(8-13)18-11(3)20/h4-8H,1-3H3,(H,18,20)(H,19,21)
InChIKeyAFSUXYOTYAOFLL-UHFFFAOYSA-N
XLogP2.30
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
2-(3-acetamidoanilino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335973
6-(3-acetamidoanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848448
N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
CID 109363196
N-(3-acetamidophenyl)-2-(4-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109336863
N-(3,4-difluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110865349
N-(4-fluorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110858651
6-(3-acetamidoanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849955
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)-6-methylpyrimidine-4-carboxamide
CID 109323620
N-(3-acetamidophenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850553
N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332901
N-(3-acetamidophenyl)-2-methyl-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 112846543

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide (CID 110861303) is N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(C)nc(C)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is AFSUXYOTYAOFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-7-14(17-10(2)16-9)15(21)19-13-6-4-5-12(8-13)18-11(3)20/h4-8H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide?
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 110861303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).