3-(3-hydroxypropyl)pyrimidin-4-one

C7H10N2O2 — CID 63769899

IUPAC3-(3-hydroxypropyl)pyrimidin-4-one
SMILESO=c1ccncn1CCCO
InChIInChI=1S/C7H10N2O2/c10-5-1-4-9-6-8-3-2-7(9)11/h2-3,6,10H,1,4-5H2
InChIKeyHSLODCRGRKUNTL-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.37
Rot. Bonds3

About 3-(3-hydroxypropyl)pyrimidin-4-one

3-(3-hydroxypropyl)pyrimidin-4-one (PubChem CID 63769899) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-hydroxypropyl)pyrimidin-4-one
PubChem CID63769899
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-(3-hydroxypropyl)pyrimidin-4-one
SMILESO=c1ccncn1CCCO
InChIInChI=1S/C7H10N2O2/c10-5-1-4-9-6-8-3-2-7(9)11/h2-3,6,10H,1,4-5H2
InChIKeyHSLODCRGRKUNTL-UHFFFAOYSA-N
XLogP-0.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)pyrimidin-4-one?
The IUPAC name of 3-(3-hydroxypropyl)pyrimidin-4-one (CID 63769899) is 3-(3-hydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 3-(3-hydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 3-(3-hydroxypropyl)pyrimidin-4-one is O=c1ccncn1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)pyrimidin-4-one?
The InChIKey is HSLODCRGRKUNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-5-1-4-9-6-8-3-2-7(9)11/h2-3,6,10H,1,4-5H2.
What are the key properties of 3-(3-hydroxypropyl)pyrimidin-4-one?
3-(3-hydroxypropyl)pyrimidin-4-one has a molecular weight of 154.17 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 63769899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).