2-(6-oxopyrimidin-1-yl)-N-phenylacetamide

C12H11N3O2 — CID 115679497

IUPAC2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
SMILESO=C(Cn1cnccc1=O)Nc1ccccc1
InChIInChI=1S/C12H11N3O2/c16-11(14-10-4-2-1-3-5-10)8-15-9-13-7-6-12(15)17/h1-7,9H,8H2,(H,14,16)
InChIKeyHEJPQRBPIGANRH-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.88
Rot. Bonds3

About 2-(6-oxopyrimidin-1-yl)-N-phenylacetamide

2-(6-oxopyrimidin-1-yl)-N-phenylacetamide (PubChem CID 115679497) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(6-oxopyrimidin-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
PubChem CID115679497
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(6-oxopyrimidin-1-yl)-N-phenylacetamide
SMILESO=C(Cn1cnccc1=O)Nc1ccccc1
InChIInChI=1S/C12H11N3O2/c16-11(14-10-4-2-1-3-5-10)8-15-9-13-7-6-12(15)17/h1-7,9H,8H2,(H,14,16)
InChIKeyHEJPQRBPIGANRH-UHFFFAOYSA-N
XLogP0.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679426
N-(3-chlorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679492
N-(4-ethylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064147
N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064222
N-(4-methoxyphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679434
N-(2-aminophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63768463
6-oxo-N-phenylpyrimidine-1-carboxamide
CID 164798852
1-(2-anilino-2-oxoethyl)-6-oxopyridine-3-carboxylic acid
CID 29293383
2-(2-oxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39954106
N-(cyanomethyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 115679462
N-(5-amino-2-fluorophenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 55237811
N-(5-amino-2-methylphenyl)-2-(6-oxopyrimidin-1-yl)acetamide
CID 63769504

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxopyrimidin-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(6-oxopyrimidin-1-yl)-N-phenylacetamide (CID 115679497) is 2-(6-oxopyrimidin-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(6-oxopyrimidin-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(6-oxopyrimidin-1-yl)-N-phenylacetamide is O=C(Cn1cnccc1=O)Nc1ccccc1.
What is the InChIKey of 2-(6-oxopyrimidin-1-yl)-N-phenylacetamide?
The InChIKey is HEJPQRBPIGANRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-11(14-10-4-2-1-3-5-10)8-15-9-13-7-6-12(15)17/h1-7,9H,8H2,(H,14,16).
What are the key properties of 2-(6-oxopyrimidin-1-yl)-N-phenylacetamide?
2-(6-oxopyrimidin-1-yl)-N-phenylacetamide has a molecular weight of 229.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopyrimidin-1-yl)-N-phenylacetamide is sourced from PubChem (CID 115679497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).