5-(2-acetylphenyl)-1H-pyrimidin-2-one

C12H10N2O2 — CID 105467489

IUPAC5-(2-acetylphenyl)-1H-pyrimidin-2-one
SMILESCC(=O)c1ccccc1-c1cnc(=O)[nH]c1
InChIInChI=1S/C12H10N2O2/c1-8(15)10-4-2-3-5-11(10)9-6-13-12(16)14-7-9/h2-7H,1H3,(H,13,14,16)
InChIKeySQTZPDRHXKKFFI-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.64
Rot. Bonds2

About 5-(2-acetylphenyl)-1H-pyrimidin-2-one

5-(2-acetylphenyl)-1H-pyrimidin-2-one (PubChem CID 105467489) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-(2-acetylphenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(2-acetylphenyl)-1H-pyrimidin-2-one
PubChem CID105467489
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5-(2-acetylphenyl)-1H-pyrimidin-2-one
SMILESCC(=O)c1ccccc1-c1cnc(=O)[nH]c1
InChIInChI=1S/C12H10N2O2/c1-8(15)10-4-2-3-5-11(10)9-6-13-12(16)14-7-9/h2-7H,1H3,(H,13,14,16)
InChIKeySQTZPDRHXKKFFI-UHFFFAOYSA-N
XLogP1.64
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetylphenyl)-1H-pyrimidin-2-one?
The IUPAC name of 5-(2-acetylphenyl)-1H-pyrimidin-2-one (CID 105467489) is 5-(2-acetylphenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(2-acetylphenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 5-(2-acetylphenyl)-1H-pyrimidin-2-one is CC(=O)c1ccccc1-c1cnc(=O)[nH]c1.
What is the InChIKey of 5-(2-acetylphenyl)-1H-pyrimidin-2-one?
The InChIKey is SQTZPDRHXKKFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8(15)10-4-2-3-5-11(10)9-6-13-12(16)14-7-9/h2-7H,1H3,(H,13,14,16).
What are the key properties of 5-(2-acetylphenyl)-1H-pyrimidin-2-one?
5-(2-acetylphenyl)-1H-pyrimidin-2-one has a molecular weight of 214.22 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetylphenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 105467489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).