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

C9H12N2O2 — CID 63769384

IUPAC3-(2-oxopentyl)pyrimidin-4-one
SMILESCCCC(=O)Cn1cnccc1=O
InChIInChI=1S/C9H12N2O2/c1-2-3-8(12)6-11-7-10-5-4-9(11)13/h4-5,7H,2-3,6H2,1H3
InChIKeyKXRBRFIMCDFIPV-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.61
Rot. Bonds4

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

3-(2-oxopentyl)pyrimidin-4-one (PubChem CID 63769384) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(2-oxopentyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-oxopentyl)pyrimidin-4-one
PubChem CID63769384
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-(2-oxopentyl)pyrimidin-4-one
SMILESCCCC(=O)Cn1cnccc1=O
InChIInChI=1S/C9H12N2O2/c1-2-3-8(12)6-11-7-10-5-4-9(11)13/h4-5,7H,2-3,6H2,1H3
InChIKeyKXRBRFIMCDFIPV-UHFFFAOYSA-N
XLogP0.61
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopentyl)pyrimidin-4-one?
The IUPAC name of 3-(2-oxopentyl)pyrimidin-4-one (CID 63769384) is 3-(2-oxopentyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-oxopentyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-oxopentyl)pyrimidin-4-one is CCCC(=O)Cn1cnccc1=O.
What is the InChIKey of 3-(2-oxopentyl)pyrimidin-4-one?
The InChIKey is KXRBRFIMCDFIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-3-8(12)6-11-7-10-5-4-9(11)13/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 3-(2-oxopentyl)pyrimidin-4-one?
3-(2-oxopentyl)pyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopentyl)pyrimidin-4-one is sourced from PubChem (CID 63769384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).