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

C9H14N2O2 — CID 63769213

IUPAC3-(2-hydroxypentyl)pyrimidin-4-one
SMILESCCCC(O)Cn1cnccc1=O
InChIInChI=1S/C9H14N2O2/c1-2-3-8(12)6-11-7-10-5-4-9(11)13/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyGQWJBOJFZYMSGD-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.40
Rot. Bonds4

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

3-(2-hydroxypentyl)pyrimidin-4-one (PubChem CID 63769213) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(2-hydroxypentyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxypentyl)pyrimidin-4-one
PubChem CID63769213
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(2-hydroxypentyl)pyrimidin-4-one
SMILESCCCC(O)Cn1cnccc1=O
InChIInChI=1S/C9H14N2O2/c1-2-3-8(12)6-11-7-10-5-4-9(11)13/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyGQWJBOJFZYMSGD-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypentyl)pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxypentyl)pyrimidin-4-one (CID 63769213) is 3-(2-hydroxypentyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxypentyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxypentyl)pyrimidin-4-one is CCCC(O)Cn1cnccc1=O.
What is the InChIKey of 3-(2-hydroxypentyl)pyrimidin-4-one?
The InChIKey is GQWJBOJFZYMSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-2-3-8(12)6-11-7-10-5-4-9(11)13/h4-5,7-8,12H,2-3,6H2,1H3.
What are the key properties of 3-(2-hydroxypentyl)pyrimidin-4-one?
3-(2-hydroxypentyl)pyrimidin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypentyl)pyrimidin-4-one is sourced from PubChem (CID 63769213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).