2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide

C17H21N3O2 — CID 93477848

IUPAC2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESCC(C)c1cc(=O)n(CC(=O)N[C@@H](C)c2ccccc2)cn1
InChIInChI=1S/C17H21N3O2/c1-12(2)15-9-17(22)20(11-18-15)10-16(21)19-13(3)14-7-5-4-6-8-14/h4-9,11-13H,10H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyRVHNBRHDAMOHNE-ZDUSSCGKSA-N
MW299.37 g/mol
LogP2.24
Rot. Bonds5

About 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide

2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 93477848) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID93477848
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESCC(C)c1cc(=O)n(CC(=O)N[C@@H](C)c2ccccc2)cn1
InChIInChI=1S/C17H21N3O2/c1-12(2)15-9-17(22)20(11-18-15)10-16(21)19-13(3)14-7-5-4-6-8-14/h4-9,11-13H,10H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyRVHNBRHDAMOHNE-ZDUSSCGKSA-N
XLogP2.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261996
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 6926063
2-(6-oxo-5-phenylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 166429061
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 108794915
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 62816679
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 7425559
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19517136
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7636682

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide (CID 93477848) is 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide is CC(C)c1cc(=O)n(CC(=O)N[C@@H](C)c2ccccc2)cn1.
What is the InChIKey of 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is RVHNBRHDAMOHNE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(2)15-9-17(22)20(11-18-15)10-16(21)19-13(3)14-7-5-4-6-8-14/h4-9,11-13H,10H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide?
2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 93477848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).