3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one

C8H12N2O2 — CID 115871093

IUPAC3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
SMILESCC(CO)Cn1cnccc1=O
InChIInChI=1S/C8H12N2O2/c1-7(5-11)4-10-6-9-3-2-8(10)12/h2-3,6-7,11H,4-5H2,1H3
InChIKeyUZYNHOSWKCVPEY-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.13
Rot. Bonds3

About 3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one

3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one (PubChem CID 115871093) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
PubChem CID115871093
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
SMILESCC(CO)Cn1cnccc1=O
InChIInChI=1S/C8H12N2O2/c1-7(5-11)4-10-6-9-3-2-8(10)12/h2-3,6-7,11H,4-5H2,1H3
InChIKeyUZYNHOSWKCVPEY-UHFFFAOYSA-N
XLogP-0.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
The IUPAC name of 3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one (CID 115871093) is 3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one.
What is the SMILES notation for 3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
The canonical SMILES for 3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one is CC(CO)Cn1cnccc1=O.
What is the InChIKey of 3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
The InChIKey is UZYNHOSWKCVPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-7(5-11)4-10-6-9-3-2-8(10)12/h2-3,6-7,11H,4-5H2,1H3.
What are the key properties of 3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-2-methylpropyl)pyrimidin-4-one is sourced from PubChem (CID 115871093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).