2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one

C13H20N2O2 — CID 114204887

IUPAC2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESCCC1CCCC(c2ncc(CO)c(=O)[nH]2)C1
InChIInChI=1S/C13H20N2O2/c1-2-9-4-3-5-10(6-9)12-14-7-11(8-16)13(17)15-12/h7,9-10,16H,2-6,8H2,1H3,(H,14,15,17)
InChIKeyGADNHJFEWHHSQE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.95
Rot. Bonds3

About 2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one

2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one (PubChem CID 114204887) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
PubChem CID114204887
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESCCC1CCCC(c2ncc(CO)c(=O)[nH]2)C1
InChIInChI=1S/C13H20N2O2/c1-2-9-4-3-5-10(6-9)12-14-7-11(8-16)13(17)15-12/h7,9-10,16H,2-6,8H2,1H3,(H,14,15,17)
InChIKeyGADNHJFEWHHSQE-UHFFFAOYSA-N
XLogP1.95
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114217039
2-butyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 21691547
2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021112
2-(4-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021304
2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65390526
6-oxo-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidine-5-carboxylic acid
CID 65400356
6-oxo-2-(4-propylcyclohexyl)-1H-pyrimidine-5-carboxylic acid
CID 65400556
2-(3-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65414619
2-(4,4-dimethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204892
5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one
CID 114204924
2-[cyclohexyl(methoxy)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204934
2-cyclopentyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 133630700

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one (CID 114204887) is 2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one is CCC1CCCC(c2ncc(CO)c(=O)[nH]2)C1.
What is the InChIKey of 2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The InChIKey is GADNHJFEWHHSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-9-4-3-5-10(6-9)12-14-7-11(8-16)13(17)15-12/h7,9-10,16H,2-6,8H2,1H3,(H,14,15,17).
What are the key properties of 2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114204887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).