1-cyclohexylpyrimidin-2-one

C10H14N2O — CID 21444336

IUPAC1-cyclohexylpyrimidin-2-one
SMILESO=c1ncccn1C1CCCCC1
InChIInChI=1S/C10H14N2O/c13-10-11-7-4-8-12(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyWIWXUGFJQXVERL-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.75
Rot. Bonds1

About 1-cyclohexylpyrimidin-2-one

1-cyclohexylpyrimidin-2-one (PubChem CID 21444336) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-cyclohexylpyrimidin-2-one.

Molecular Properties

Compound Name1-cyclohexylpyrimidin-2-one
PubChem CID21444336
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-cyclohexylpyrimidin-2-one
SMILESO=c1ncccn1C1CCCCC1
InChIInChI=1S/C10H14N2O/c13-10-11-7-4-8-12(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyWIWXUGFJQXVERL-UHFFFAOYSA-N
XLogP1.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine, 1-sec-butyl-1,2-dihydro-2-oxo-
CID 66921962
Pyrimidine, 1-butyl-1,2-dihydro-2-oxo-
CID 116618400
1-Hexyl-3-methylpyrimidin-3-ium-2-one
CID 59306272
1-Pentylpyrimidin-2-one
CID 67610147
1,3-Dihexylpyrimidin-1-ium-2-one
CID 71090529
1-Heptylpyrimidin-2-one
CID 89215856
1-Hexylpyrimidin-2-one
CID 116618313
1-Heptan-4-ylpyrimidin-2-one
CID 123152846
1-Pentan-2-ylpyrimidin-2-one
CID 123631104
1-Pentadecan-8-ylpyrimidin-2-one
CID 126556318
1-Tetradecan-7-ylpyrimidin-2-one
CID 135158120
N-cyclohexyl-2H-pyrimidine-1-carboxamide
CID 140574592

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrimidin-2-one?
The IUPAC name of 1-cyclohexylpyrimidin-2-one (CID 21444336) is 1-cyclohexylpyrimidin-2-one.
What is the SMILES notation for 1-cyclohexylpyrimidin-2-one?
The canonical SMILES for 1-cyclohexylpyrimidin-2-one is O=c1ncccn1C1CCCCC1.
What is the InChIKey of 1-cyclohexylpyrimidin-2-one?
The InChIKey is WIWXUGFJQXVERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10-11-7-4-8-12(10)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2.
What are the key properties of 1-cyclohexylpyrimidin-2-one?
1-cyclohexylpyrimidin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrimidin-2-one is sourced from PubChem (CID 21444336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).