3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one

C10H16N2O2 — CID 63769048

IUPAC3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one
SMILESCC(C)(C)C(O)Cn1cnccc1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8(13)6-12-7-11-5-4-9(12)14/h4-5,7-8,13H,6H2,1-3H3
InChIKeyCSKCOEQUEQHOTB-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.65
Rot. Bonds2

About 3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one

3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one (PubChem CID 63769048) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one
PubChem CID63769048
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one
SMILESCC(C)(C)C(O)Cn1cnccc1=O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8(13)6-12-7-11-5-4-9(12)14/h4-5,7-8,13H,6H2,1-3H3
InChIKeyCSKCOEQUEQHOTB-UHFFFAOYSA-N
XLogP0.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-Hydroxy-3,3-dimethylbutyl)-6-methyl-4(3H)-pyrimidinone
CID 61773286
3-(2-Hydroxypentyl)pyrimidin-4-one
CID 63769213
3-(2-Hydroxypropyl)-3,4-dihydropyrimidin-4-one
CID 63770069
3-(2-Hydroxybutyl)pyrimidin-4-one
CID 63770070
3-(3-Hydroxybutyl)pyrimidin-4-one
CID 63770278
3-(2-Cyclopropyl-2-hydroxyethyl)pyrimidin-4-one
CID 63905590
3-(3-Hydroxybutan-2-yl)pyrimidin-4-one
CID 78950751
3-(2-Hydroxy-3-methylbutyl)-6-methylpyrimidin-4-one
CID 80447847
3-(2-Hydroxy-3-methylbutyl)pyrimidin-4-one
CID 80449189
3-(2-Hydroxy-3-methylpentyl)pyrimidin-4-one
CID 80449216
3-[(2S)-2-hydroxypropyl]pyrimidin-4-one
CID 103935380
3-[(2R)-2-hydroxypropyl]pyrimidin-4-one
CID 103935381

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one (CID 63769048) is 3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one is CC(C)(C)C(O)Cn1cnccc1=O.
What is the InChIKey of 3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one?
The InChIKey is CSKCOEQUEQHOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)8(13)6-12-7-11-5-4-9(12)14/h4-5,7-8,13H,6H2,1-3H3.
What are the key properties of 3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one?
3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,3-dimethylbutyl)pyrimidin-4-one is sourced from PubChem (CID 63769048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).