1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one

C13H20N2O2 — CID 165498073

IUPAC1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one
SMILESCCC1CCC(O)CC1n1cc(C)cnc1=O
InChIInChI=1S/C13H20N2O2/c1-3-10-4-5-11(16)6-12(10)15-8-9(2)7-14-13(15)17/h7-8,10-12,16H,3-6H2,1-2H3
InChIKeyKXYGMEOUZUIGHJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.66
Rot. Bonds2

About 1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one

1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one (PubChem CID 165498073) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one
PubChem CID165498073
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one
SMILESCCC1CCC(O)CC1n1cc(C)cnc1=O
InChIInChI=1S/C13H20N2O2/c1-3-10-4-5-11(16)6-12(10)15-8-9(2)7-14-13(15)17/h7-8,10-12,16H,3-6H2,1-2H3
InChIKeyKXYGMEOUZUIGHJ-UHFFFAOYSA-N
XLogP1.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one
CID 165498080
2-(2-ethyl-5-hydroxycyclohexyl)-4,5-dimethyl-1,2,4-triazol-3-one
CID 165498169
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 70367096
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 70367080
1-(5-hydroxy-2-propylcyclohexyl)-4-methylpyridin-2-one
CID 165492200
(4R)-4-ethyl-3-(methylamino)cyclohexan-1-ol
CID 126641418
5-methyl-1-(3-oxopentan-2-yl)pyrimidin-2-one
CID 64868223
tert-butyl N-[4-hydroxy-2-(2-oxopyrimidin-1-yl)cyclohexyl]carbamate
CID 165491268
8-ethyl-3-hydroxybicyclo[4.2.0]octan-7-one
CID 56638242
1-(5-hydroxy-2-propylcyclohexyl)-3-methylimidazolidine-2,4-dione
CID 165498798
5-methyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
CID 63205847
1-[(1S,3R)-3-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 10443092

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one?
The IUPAC name of 1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one (CID 165498073) is 1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one?
The canonical SMILES for 1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one is CCC1CCC(O)CC1n1cc(C)cnc1=O.
What is the InChIKey of 1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one?
The InChIKey is KXYGMEOUZUIGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-10-4-5-11(16)6-12(10)15-8-9(2)7-14-13(15)17/h7-8,10-12,16H,3-6H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one?
1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-hydroxycyclohexyl)-5-methylpyrimidin-2-one is sourced from PubChem (CID 165498073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).