N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide

C17H19N3O2 — CID 726949

IUPACN-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide
SMILESCC(=O)c1c(NC(=O)C(C)C)nc(C)nc1-c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-10(2)17(22)20-16-14(11(3)21)15(18-12(4)19-16)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,18,19,20,22)
InChIKeyVRJKTQQAMTXYSK-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.25
Rot. Bonds4

About N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide

N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide (PubChem CID 726949) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide
PubChem CID726949
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide
SMILESCC(=O)c1c(NC(=O)C(C)C)nc(C)nc1-c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-10(2)17(22)20-16-14(11(3)21)15(18-12(4)19-16)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,18,19,20,22)
InChIKeyVRJKTQQAMTXYSK-UHFFFAOYSA-N
XLogP3.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-phenylacetamide
CID 873978
2-methyl-N-(2-phenyl-1,3-oxazol-4-yl)propanamide
CID 72942956
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
N-(2-methylquinazolin-4-yl)acetamide
CID 13329017
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
(2R)-2-(2,3-dimethylphenoxy)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)propanamide
CID 40871308
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-pyrazol-1-ylpropanamide
CID 134060555
2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 54850579
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318
2-methyl-1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one
CID 12562150
1-(2,5-dimethyl-6-phenylpyrimidin-4-yl)ethanamine
CID 83850126

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide?
The IUPAC name of N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide (CID 726949) is N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide is CC(=O)c1c(NC(=O)C(C)C)nc(C)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide?
The InChIKey is VRJKTQQAMTXYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10(2)17(22)20-16-14(11(3)21)15(18-12(4)19-16)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,18,19,20,22).
What are the key properties of N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide?
N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide has a molecular weight of 297.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-methyl-6-phenylpyrimidin-4-yl)-2-methylpropanamide is sourced from PubChem (CID 726949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).