N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide

C12H11N3O2 — CID 135590630

IUPACN-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C12H11N3O2/c1-8(16)13-12-14-10(7-11(17)15-12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyPYPFWHLLDHWKQH-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.40
Rot. Bonds2

About N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide

N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide (PubChem CID 135590630) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
PubChem CID135590630
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC NameN-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(-c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C12H11N3O2/c1-8(16)13-12-14-10(7-11(17)15-12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16,17)
InChIKeyPYPFWHLLDHWKQH-UHFFFAOYSA-N
XLogP1.40
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxyamino)-4-phenyl-1H-pyrimidin-6-one
CID 135421720
2-(4-hydroxyanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135460740
2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
CID 137271554
N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide
CID 135483277
N-[3-[(6-oxo-4-pyridin-4-yl-1H-pyrimidin-2-yl)amino]phenyl]acetamide
CID 135436593
2-(1H-benzimidazol-2-ylamino)-4-phenyl-1H-pyrimidin-6-one
CID 135433872
2-[2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 135424200
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
2-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
CID 135848229
2-(3-bromoanilino)-4-phenyl-1H-pyrimidin-6-one
CID 135773852
2-(methylaminomethyl)-4-phenyl-1H-pyrimidin-6-one
CID 135577957
2-(6-aminohexylamino)-4-phenyl-1H-pyrimidin-6-one
CID 136925145

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide?
The IUPAC name of N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide (CID 135590630) is N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide is CC(=O)Nc1nc(-c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide?
The InChIKey is PYPFWHLLDHWKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-8(16)13-12-14-10(7-11(17)15-12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16,17).
What are the key properties of N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide?
N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide has a molecular weight of 229.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 135590630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).