5-(3-acetylphenyl)-1H-pyrimidin-6-one

C12H10N2O2 — CID 122200465

IUPAC5-(3-acetylphenyl)-1H-pyrimidin-6-one
SMILESCC(=O)c1cccc(-c2cnc[nH]c2=O)c1
InChIInChI=1S/C12H10N2O2/c1-8(15)9-3-2-4-10(5-9)11-6-13-7-14-12(11)16/h2-7H,1H3,(H,13,14,16)
InChIKeyPDTDLBQIWRDDQC-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.64
Rot. Bonds2

About 5-(3-acetylphenyl)-1H-pyrimidin-6-one

5-(3-acetylphenyl)-1H-pyrimidin-6-one (PubChem CID 122200465) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-(3-acetylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-acetylphenyl)-1H-pyrimidin-6-one
PubChem CID122200465
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name5-(3-acetylphenyl)-1H-pyrimidin-6-one
SMILESCC(=O)c1cccc(-c2cnc[nH]c2=O)c1
InChIInChI=1S/C12H10N2O2/c1-8(15)9-3-2-4-10(5-9)11-6-13-7-14-12(11)16/h2-7H,1H3,(H,13,14,16)
InChIKeyPDTDLBQIWRDDQC-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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Related Compounds

5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one
CID 122358564
benzyl 3-(6-oxo-1H-pyrimidin-5-yl)benzoate
CID 122200489
3-(6-oxo-1H-pyrimidin-5-yl)benzonitrile
CID 106514390
5-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one;hydrochloride
CID 141001712
4-(3-acetylphenyl)pyridine-3-carboxylic acid
CID 53229293
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
2-[2-(3-acetylphenyl)phenyl]acetic acid
CID 11572401
3-fluoro-5-(6-oxo-1H-pyrimidin-5-yl)benzoic acid
CID 106522847
1-[3-(1H-imidazol-5-ylmethylamino)phenyl]ethanone
CID 117003485
5-(4-bromophenyl)-1H-pyrimidin-6-one
CID 106517913
2-(3-acetylphenyl)benzoic acid
CID 2756265
5-(3,5-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 103695300

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-acetylphenyl)-1H-pyrimidin-6-one (CID 122200465) is 5-(3-acetylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-acetylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-acetylphenyl)-1H-pyrimidin-6-one is CC(=O)c1cccc(-c2cnc[nH]c2=O)c1.
What is the InChIKey of 5-(3-acetylphenyl)-1H-pyrimidin-6-one?
The InChIKey is PDTDLBQIWRDDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8(15)9-3-2-4-10(5-9)11-6-13-7-14-12(11)16/h2-7H,1H3,(H,13,14,16).
What are the key properties of 5-(3-acetylphenyl)-1H-pyrimidin-6-one?
5-(3-acetylphenyl)-1H-pyrimidin-6-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-(3-acetylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 122200465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).