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

C7H10N2O2 — CID 63770069

IUPAC3-(2-hydroxypropyl)pyrimidin-4-one
SMILESCC(O)Cn1cnccc1=O
InChIInChI=1S/C7H10N2O2/c1-6(10)4-9-5-8-3-2-7(9)11/h2-3,5-6,10H,4H2,1H3
InChIKeyFQYYPKZCYUIKSS-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.38
Rot. Bonds2

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

3-(2-hydroxypropyl)pyrimidin-4-one (PubChem CID 63770069) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxypropyl)pyrimidin-4-one
PubChem CID63770069
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-(2-hydroxypropyl)pyrimidin-4-one
SMILESCC(O)Cn1cnccc1=O
InChIInChI=1S/C7H10N2O2/c1-6(10)4-9-5-8-3-2-7(9)11/h2-3,5-6,10H,4H2,1H3
InChIKeyFQYYPKZCYUIKSS-UHFFFAOYSA-N
XLogP-0.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-hydroxybutyl)pyrimidin-4-one
CID 63770070
3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one
CID 63769900
3-(2-cyclopropyl-2-hydroxyethyl)pyrimidin-4-one
CID 63905590
3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one
CID 63770409
3-(2-methylidenebutyl)pyrimidin-4-one
CID 115897556
3-propylpyrimidin-4-one
CID 115679465
3-(4-hydroxyhexyl)pyrimidin-4-one
CID 106802562
3-(2-hydroxy-2-naphthalen-2-ylethyl)pyrimidin-4-one
CID 63769203
3-[2-(propylamino)pentyl]pyrimidin-4-one
CID 63769697
3-[2-amino-2-(4-tert-butylphenyl)ethyl]pyrimidin-4-one
CID 63767962
3-[2-amino-2-(2-methylphenyl)ethyl]pyrimidin-4-one
CID 63768478
1-(2-hydroxypropyl)-5-methylpyridin-2-one
CID 59276133

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxypropyl)pyrimidin-4-one (CID 63770069) is 3-(2-hydroxypropyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxypropyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxypropyl)pyrimidin-4-one is CC(O)Cn1cnccc1=O.
What is the InChIKey of 3-(2-hydroxypropyl)pyrimidin-4-one?
The InChIKey is FQYYPKZCYUIKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6(10)4-9-5-8-3-2-7(9)11/h2-3,5-6,10H,4H2,1H3.
What are the key properties of 3-(2-hydroxypropyl)pyrimidin-4-one?
3-(2-hydroxypropyl)pyrimidin-4-one has a molecular weight of 154.17 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)pyrimidin-4-one is sourced from PubChem (CID 63770069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).