2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one

C13H20N2O — CID 59164977

IUPAC2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one
SMILESCCn1c(CC2CCCCC2)nccc1=O
InChIInChI=1S/C13H20N2O/c1-2-15-12(14-9-8-13(15)16)10-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3
InChIKeyRWNSIZXZTNHDNN-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.39
Rot. Bonds3

About 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one

2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one (PubChem CID 59164977) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one
PubChem CID59164977
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one
SMILESCCn1c(CC2CCCCC2)nccc1=O
InChIInChI=1S/C13H20N2O/c1-2-15-12(14-9-8-13(15)16)10-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3
InChIKeyRWNSIZXZTNHDNN-UHFFFAOYSA-N
XLogP2.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one?
The IUPAC name of 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one (CID 59164977) is 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one?
The canonical SMILES for 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one is CCn1c(CC2CCCCC2)nccc1=O.
What is the InChIKey of 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one?
The InChIKey is RWNSIZXZTNHDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-15-12(14-9-8-13(15)16)10-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one?
2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one has a molecular weight of 220.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-3-ethylpyrimidin-4-one is sourced from PubChem (CID 59164977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).