3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one

C13H20N2O2 — CID 104753256

IUPAC3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)C2CCCC2)c(C)n1
InChIInChI=1S/C13H20N2O2/c1-9-7-13(17)15(10(2)14-9)8-12(16)11-5-3-4-6-11/h7,11-12,16H,3-6,8H2,1-2H3
InChIKeyRRSZGEFNHAABRW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.41
Rot. Bonds3

About 3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one

3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 104753256) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one
PubChem CID104753256
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)C2CCCC2)c(C)n1
InChIInChI=1S/C13H20N2O2/c1-9-7-13(17)15(10(2)14-9)8-12(16)11-5-3-4-6-11/h7,11-12,16H,3-6,8H2,1-2H3
InChIKeyRRSZGEFNHAABRW-UHFFFAOYSA-N
XLogP1.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
CID 96672369
1-cyclohexyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanol
CID 104753358
3-[(2R)-2-aminopropyl]-2,6-dimethylpyrimidin-4-one
CID 103934813
methyl 2-bromo-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoate
CID 81098959
1-(2-cyclopentyl-2-hydroxyethyl)-4-methylpyridin-2-one
CID 104753235
3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one
CID 63769037
methyl 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetate
CID 63768646
3-[2-(2-aminocyclopentyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 79573341
2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 63768677
1-cyclopentyl-2-(2-methylimidazol-1-yl)ethanol
CID 104753089
3-(2-amino-2-phenylethyl)-2,6-dimethylpyrimidin-4-one
CID 63768475
2,6-dimethyl-3-[2-(propylamino)butyl]pyrimidin-4-one
CID 63767942

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one (CID 104753256) is 3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(O)C2CCCC2)c(C)n1.
What is the InChIKey of 3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is RRSZGEFNHAABRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-7-13(17)15(10(2)14-9)8-12(16)11-5-3-4-6-11/h7,11-12,16H,3-6,8H2,1-2H3.
What are the key properties of 3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one?
3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 236.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 104753256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).