3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione

C12H10N2O3 — CID 11506886

IUPAC3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H10N2O3/c1-8-7-10(15)14(12(17)13-8)11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)
InChIKeyVXGJXYJRZWQNDY-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.53
Rot. Bonds1

About 3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione

3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 11506886) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID11506886
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C12H10N2O3/c1-8-7-10(15)14(12(17)13-8)11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17)
InChIKeyVXGJXYJRZWQNDY-UHFFFAOYSA-N
XLogP0.53
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-benzoyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
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3-benzoyl-2-sulfanylidene-1H-quinazolin-4-one
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3-benzoyl-2-(1-fluoro-2-oxopropyl)sulfanyl-6-methylpyrimidin-4-one
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3-benzoyl-5-ethenyl-1H-pyrimidine-2,4-dione
CID 142659888
3-anilino-6-methyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 17424392
2-benzoyl-4-methyl-1H-pyrazol-5-one
CID 91619803
(5-bromo-2-methylindol-1-yl)-phenylmethanone
CID 67901223
diethyl 1-benzoyl-2,5-dimethylpyrrole-3,4-dicarboxylate
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1-benzoylimidazolidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione (CID 11506886) is 3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(C(=O)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is VXGJXYJRZWQNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8-7-10(15)14(12(17)13-8)11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,17).
What are the key properties of 3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione?
3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 230.22 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11506886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).