5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one

C14H22N2O2 — CID 114204924

IUPAC5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one
SMILESCC(C)C1CCC(c2ncc(CO)c(=O)[nH]2)CC1
InChIInChI=1S/C14H22N2O2/c1-9(2)10-3-5-11(6-4-10)13-15-7-12(8-17)14(18)16-13/h7,9-11,17H,3-6,8H2,1-2H3,(H,15,16,18)
InChIKeyYZVBETYCJUWFMZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.19
Rot. Bonds3

About 5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one

5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 114204924) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID114204924
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one
SMILESCC(C)C1CCC(c2ncc(CO)c(=O)[nH]2)CC1
InChIInChI=1S/C14H22N2O2/c1-9(2)10-3-5-11(6-4-10)13-15-7-12(8-17)14(18)16-13/h7,9-11,17H,3-6,8H2,1-2H3,(H,15,16,18)
InChIKeyYZVBETYCJUWFMZ-UHFFFAOYSA-N
XLogP2.19
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.19
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-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021112
2-(4-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021304
2-(4,4-dimethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65390463
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-tert-butylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65414620
2-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one
CID 102173258
2-[(1S,2S)-2-(hydroxymethyl)cyclohexyl]-5-methyl-1H-pyrimidin-6-one
CID 102173259
2-(3-ethylcyclohexyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204887

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one (CID 114204924) is 5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one is CC(C)C1CCC(c2ncc(CO)c(=O)[nH]2)CC1.
What is the InChIKey of 5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is YZVBETYCJUWFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)10-3-5-11(6-4-10)13-15-7-12(8-17)14(18)16-13/h7,9-11,17H,3-6,8H2,1-2H3,(H,15,16,18).
What are the key properties of 5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one?
5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-(4-propan-2-ylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114204924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).