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

C11H14F2N2O2 — CID 114217039

IUPAC2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCC(F)(F)C2)ncc1CO
InChIInChI=1S/C11H14F2N2O2/c12-11(13)3-1-2-7(4-11)9-14-5-8(6-16)10(17)15-9/h5,7,16H,1-4,6H2,(H,14,15,17)
InChIKeyZYHNFLXQMZOBIN-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.56
Rot. Bonds2

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

2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one (PubChem CID 114217039) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
PubChem CID114217039
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCC(F)(F)C2)ncc1CO
InChIInChI=1S/C11H14F2N2O2/c12-11(13)3-1-2-7(4-11)9-14-5-8(6-16)10(17)15-9/h5,7,16H,1-4,6H2,(H,14,15,17)
InChIKeyZYHNFLXQMZOBIN-UHFFFAOYSA-N
XLogP1.56
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,3-difluorocyclohexyl)-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

2-Cyclohexyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 62020373
2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204887
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-cyclobutyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 133626333
2-cyclopentyl-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 133630700
2-(cyclobutylmethyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 133664493

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one (CID 114217039) is 2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one is O=c1[nH]c(C2CCCC(F)(F)C2)ncc1CO.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The InChIKey is ZYHNFLXQMZOBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c12-11(13)3-1-2-7(4-11)9-14-5-8(6-16)10(17)15-9/h5,7,16H,1-4,6H2,(H,14,15,17).
What are the key properties of 2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one has a molecular weight of 244.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114217039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).