1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one

C9H14N2O2 — CID 164652793

IUPAC1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one
SMILESCC(C)(CO)Cn1cccnc1=O
InChIInChI=1S/C9H14N2O2/c1-9(2,7-12)6-11-5-3-4-10-8(11)13/h3-5,12H,6-7H2,1-2H3
InChIKeyXVKJAFLWWPKJLK-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.26
Rot. Bonds3

About 1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one

1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one (PubChem CID 164652793) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one
PubChem CID164652793
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one
SMILESCC(C)(CO)Cn1cccnc1=O
InChIInChI=1S/C9H14N2O2/c1-9(2,7-12)6-11-5-3-4-10-8(11)13/h3-5,12H,6-7H2,1-2H3
InChIKeyXVKJAFLWWPKJLK-UHFFFAOYSA-N
XLogP0.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Hydroxypropyl)-4-methyl-2-oxopyrimidine
CID 130485259
1-(3-Hydroxypropyl)-2-oxopyrimidine
CID 43509829
1-(4-Hydroxybutyl)-2-oxopyrimidine
CID 43509830
N-2-hydroxypropyl-pyrimidinone
CID 60878763
1-(3-Hydroxypropyl)-6-methyl-2oxopyrimidine
CID 175647230
1-(2-Hydroxybutyl)pyrimidin-2-one
CID 60878764
1-(3-Hydroxybutyl)pyrimidin-2-one
CID 61765693
1-(2-Hydroxy-3,3-dimethylbutyl)pyrimidin-2-one
CID 61765877
1-(3-Hydroxypropyl)-5-methylpyrimidin-2-one
CID 63205759
1-(3-Hydroxybutan-2-yl)pyrimidin-2-one
CID 78976667
1-(3-Hydroxy-3-methylbutyl)pyrimidin-2-one
CID 79361037
2,2-Dimethyl-3-(2-oxopyrimidin-1-yl)propanoic acid
CID 79630238

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one (CID 164652793) is 1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one is CC(C)(CO)Cn1cccnc1=O.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one?
The InChIKey is XVKJAFLWWPKJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2,7-12)6-11-5-3-4-10-8(11)13/h3-5,12H,6-7H2,1-2H3.
What are the key properties of 1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one?
1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylpropyl)pyrimidin-2-one is sourced from PubChem (CID 164652793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).