6-methyl-3-(2-oxopentyl)pyrimidin-4-one

C10H14N2O2 — CID 62044244

IUPAC6-methyl-3-(2-oxopentyl)pyrimidin-4-one
SMILESCCCC(=O)Cn1cnc(C)cc1=O
InChIInChI=1S/C10H14N2O2/c1-3-4-9(13)6-12-7-11-8(2)5-10(12)14/h5,7H,3-4,6H2,1-2H3
InChIKeyFEFMAVQXQLFDLS-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.92
Rot. Bonds4

About 6-methyl-3-(2-oxopentyl)pyrimidin-4-one

6-methyl-3-(2-oxopentyl)pyrimidin-4-one (PubChem CID 62044244) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-methyl-3-(2-oxopentyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-oxopentyl)pyrimidin-4-one
PubChem CID62044244
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-methyl-3-(2-oxopentyl)pyrimidin-4-one
SMILESCCCC(=O)Cn1cnc(C)cc1=O
InChIInChI=1S/C10H14N2O2/c1-3-4-9(13)6-12-7-11-8(2)5-10(12)14/h5,7H,3-4,6H2,1-2H3
InChIKeyFEFMAVQXQLFDLS-UHFFFAOYSA-N
XLogP0.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-oxopentyl)pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(2-oxopentyl)pyrimidin-4-one (CID 62044244) is 6-methyl-3-(2-oxopentyl)pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(2-oxopentyl)pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(2-oxopentyl)pyrimidin-4-one is CCCC(=O)Cn1cnc(C)cc1=O.
What is the InChIKey of 6-methyl-3-(2-oxopentyl)pyrimidin-4-one?
The InChIKey is FEFMAVQXQLFDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-4-9(13)6-12-7-11-8(2)5-10(12)14/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 6-methyl-3-(2-oxopentyl)pyrimidin-4-one?
6-methyl-3-(2-oxopentyl)pyrimidin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-oxopentyl)pyrimidin-4-one is sourced from PubChem (CID 62044244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).