4-(2-cyclohexylethyl)-1H-pyrimidin-6-one

C12H18N2O — CID 137025535

IUPAC4-(2-cyclohexylethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CCC2CCCCC2)nc[nH]1
InChIInChI=1S/C12H18N2O/c15-12-8-11(13-9-14-12)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,13,14,15)
InChIKeySDIYGYHIIPIARM-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.28
Rot. Bonds3

About 4-(2-cyclohexylethyl)-1H-pyrimidin-6-one

4-(2-cyclohexylethyl)-1H-pyrimidin-6-one (PubChem CID 137025535) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(2-cyclohexylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclohexylethyl)-1H-pyrimidin-6-one
PubChem CID137025535
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-(2-cyclohexylethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(CCC2CCCCC2)nc[nH]1
InChIInChI=1S/C12H18N2O/c15-12-8-11(13-9-14-12)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,13,14,15)
InChIKeySDIYGYHIIPIARM-UHFFFAOYSA-N
XLogP2.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclohexylethyl)-1H-pyrimidin-6-one (CID 137025535) is 4-(2-cyclohexylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclohexylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclohexylethyl)-1H-pyrimidin-6-one is O=c1cc(CCC2CCCCC2)nc[nH]1.
What is the InChIKey of 4-(2-cyclohexylethyl)-1H-pyrimidin-6-one?
The InChIKey is SDIYGYHIIPIARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c15-12-8-11(13-9-14-12)7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,13,14,15).
What are the key properties of 4-(2-cyclohexylethyl)-1H-pyrimidin-6-one?
4-(2-cyclohexylethyl)-1H-pyrimidin-6-one has a molecular weight of 206.29 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137025535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).