3-(2-hydroxypentyl)-6-methylpyrimidin-4-one

C10H16N2O2 — CID 62043889

IUPAC3-(2-hydroxypentyl)-6-methylpyrimidin-4-one
SMILESCCCC(O)Cn1cnc(C)cc1=O
InChIInChI=1S/C10H16N2O2/c1-3-4-9(13)6-12-7-11-8(2)5-10(12)14/h5,7,9,13H,3-4,6H2,1-2H3
InChIKeyBIRVXEXMADTWLX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.71
Rot. Bonds4

About 3-(2-hydroxypentyl)-6-methylpyrimidin-4-one

3-(2-hydroxypentyl)-6-methylpyrimidin-4-one (PubChem CID 62043889) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(2-hydroxypentyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxypentyl)-6-methylpyrimidin-4-one
PubChem CID62043889
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(2-hydroxypentyl)-6-methylpyrimidin-4-one
SMILESCCCC(O)Cn1cnc(C)cc1=O
InChIInChI=1S/C10H16N2O2/c1-3-4-9(13)6-12-7-11-8(2)5-10(12)14/h5,7,9,13H,3-4,6H2,1-2H3
InChIKeyBIRVXEXMADTWLX-UHFFFAOYSA-N
XLogP0.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypentyl)-6-methylpyrimidin-4-one?
The IUPAC name of 3-(2-hydroxypentyl)-6-methylpyrimidin-4-one (CID 62043889) is 3-(2-hydroxypentyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxypentyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxypentyl)-6-methylpyrimidin-4-one is CCCC(O)Cn1cnc(C)cc1=O.
What is the InChIKey of 3-(2-hydroxypentyl)-6-methylpyrimidin-4-one?
The InChIKey is BIRVXEXMADTWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-4-9(13)6-12-7-11-8(2)5-10(12)14/h5,7,9,13H,3-4,6H2,1-2H3.
What are the key properties of 3-(2-hydroxypentyl)-6-methylpyrimidin-4-one?
3-(2-hydroxypentyl)-6-methylpyrimidin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypentyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 62043889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).