2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one

C16H26N2O — CID 58286828

IUPAC2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cnc(CCC2CCCCC2)n(C)c1=O
InChIInChI=1S/C16H26N2O/c1-12(2)14-11-17-15(18(3)16(14)19)10-9-13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3
InChIKeyDIDWIXOQCNUWEC-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.42
Rot. Bonds4

About 2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one

2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one (PubChem CID 58286828) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
PubChem CID58286828
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cnc(CCC2CCCCC2)n(C)c1=O
InChIInChI=1S/C16H26N2O/c1-12(2)14-11-17-15(18(3)16(14)19)10-9-13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3
InChIKeyDIDWIXOQCNUWEC-UHFFFAOYSA-N
XLogP3.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Cyclopropylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58170184
2-(Cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286760
2-(Cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 58286796
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one
CID 59164977
2-(Cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 59304401
2-(Cyclohexylmethyl)-3-ethylpyrimidin-4-one;uranium
CID 142822927
5-Butan-2-yl-2,3-dimethylpyrimidin-4-one
CID 153576843
2-(Cyclohexylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one;2-(cyclopropylmethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one
CID 158058558
2-(Cyclohexylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;2-(cyclopropylmethyl)-5-propan-2-ylpyrimidin-3-id-4-one;rhenium
CID 159472338
8-Methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 170054699
3-Propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 171538616
2,3-Diethyl-5-propan-2-ylpyrimidin-4-one
CID 177151244

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
The IUPAC name of 2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one (CID 58286828) is 2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one is CC(C)c1cnc(CCC2CCCCC2)n(C)c1=O.
What is the InChIKey of 2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
The InChIKey is DIDWIXOQCNUWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)14-11-17-15(18(3)16(14)19)10-9-13-7-5-4-6-8-13/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one?
2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one has a molecular weight of 262.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-3-methyl-5-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 58286828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).