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

C17H19N3O2 — CID 873515

IUPACN-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide
SMILESCC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)C(C)C
InChIInChI=1S/C17H19N3O2/c1-10(2)17(22)20-16-14(12(4)21)11(3)18-15(19-16)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,18,19,20,22)
InChIKeyZJDPKCKLUYBDFY-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.25
Rot. Bonds4

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

N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide (PubChem CID 873515) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide
PubChem CID873515
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide
SMILESCC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)C(C)C
InChIInChI=1S/C17H19N3O2/c1-10(2)17(22)20-16-14(12(4)21)11(3)18-15(19-16)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,18,19,20,22)
InChIKeyZJDPKCKLUYBDFY-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

Luf-5735
CID 11392960
N-(4,6-diphenylpyrimidin-2-yl)-3-methylbutyramide
CID 11301995
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
N-(4,6-diphenylpyrimidin-2-yl)-2-ethylbutyramide
CID 11290921
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
Propanamide, N-(4,6-diphenyl-2-pyrimidinyl)-2-methyl-
CID 11381543
N-(2,6-Diphenylpyrimidin-4-YL)-2-methylbutanamide
CID 11427528
N-(2,6-diphenylpyrimidin-4-yl)propionamide
CID 11438116
N-(2,6-Diphenylpyrimidin-4-YL)-3,3-dimethylbutanamide
CID 11462102

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide?
The IUPAC name of N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide (CID 873515) is N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide is CC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)C(C)C.
What is the InChIKey of N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide?
The InChIKey is ZJDPKCKLUYBDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10(2)17(22)20-16-14(12(4)21)11(3)18-15(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-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide?
N-(5-acetyl-6-methyl-2-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-6-methyl-2-phenylpyrimidin-4-yl)-2-methylpropanamide is sourced from PubChem (CID 873515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).