1-(3-hydroxybutan-2-yl)pyrimidin-2-one

C8H12N2O2 — CID 78976667

IUPAC1-(3-hydroxybutan-2-yl)pyrimidin-2-one
SMILESCC(O)C(C)n1cccnc1=O
InChIInChI=1S/C8H12N2O2/c1-6(7(2)11)10-5-3-4-9-8(10)12/h3-7,11H,1-2H3
InChIKeyFQFVGDSJDFOYQK-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.19
Rot. Bonds2

About 1-(3-hydroxybutan-2-yl)pyrimidin-2-one

1-(3-hydroxybutan-2-yl)pyrimidin-2-one (PubChem CID 78976667) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(3-hydroxybutan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxybutan-2-yl)pyrimidin-2-one
PubChem CID78976667
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(3-hydroxybutan-2-yl)pyrimidin-2-one
SMILESCC(O)C(C)n1cccnc1=O
InChIInChI=1S/C8H12N2O2/c1-6(7(2)11)10-5-3-4-9-8(10)12/h3-7,11H,1-2H3
InChIKeyFQFVGDSJDFOYQK-UHFFFAOYSA-N
XLogP0.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutan-2-yl)pyrimidin-2-one?
The IUPAC name of 1-(3-hydroxybutan-2-yl)pyrimidin-2-one (CID 78976667) is 1-(3-hydroxybutan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 1-(3-hydroxybutan-2-yl)pyrimidin-2-one?
The canonical SMILES for 1-(3-hydroxybutan-2-yl)pyrimidin-2-one is CC(O)C(C)n1cccnc1=O.
What is the InChIKey of 1-(3-hydroxybutan-2-yl)pyrimidin-2-one?
The InChIKey is FQFVGDSJDFOYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(7(2)11)10-5-3-4-9-8(10)12/h3-7,11H,1-2H3.
What are the key properties of 1-(3-hydroxybutan-2-yl)pyrimidin-2-one?
1-(3-hydroxybutan-2-yl)pyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 78976667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).