2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one

C13H20N2O2 — CID 114204892

IUPAC2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESCC1(C)CCC(c2ncc(CO)c(=O)[nH]2)CC1
InChIInChI=1S/C13H20N2O2/c1-13(2)5-3-9(4-6-13)11-14-7-10(8-16)12(17)15-11/h7,9,16H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyYAQYQEFWKYYEOD-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.95
Rot. Bonds2

About 2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one

2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one (PubChem CID 114204892) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
PubChem CID114204892
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESCC1(C)CCC(c2ncc(CO)c(=O)[nH]2)CC1
InChIInChI=1S/C13H20N2O2/c1-13(2)5-3-9(4-6-13)11-14-7-10(8-16)12(17)15-11/h7,9,16H,3-6,8H2,1-2H3,(H,14,15,17)
InChIKeyYAQYQEFWKYYEOD-UHFFFAOYSA-N
XLogP1.95
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-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

5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 82502898
2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one
CID 84656987
2-(azepan-4-yl)-5-ethyl-1H-pyrimidin-6-one
CID 84686967
N-[[2-(4,4-dimethylcyclohexyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 65391075
2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65390526
5-[(cyclopropylamino)methyl]-2-(2,2-dimethylcyclopropyl)-1H-pyrimidin-6-one
CID 114206328
5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84656984
2-cyclobutyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrimidin-6-one
CID 165466315
2-(4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941583
5-iodo-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 66314710
2-(oxolan-3-yl)-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206270
N-cyclohexyl-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 166253059

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one (CID 114204892) is 2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one is CC1(C)CCC(c2ncc(CO)c(=O)[nH]2)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The InChIKey is YAQYQEFWKYYEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2)5-3-9(4-6-13)11-14-7-10(8-16)12(17)15-11/h7,9,16H,3-6,8H2,1-2H3,(H,14,15,17).
What are the key properties of 2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114204892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).