3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one

C12H18N2O2 — CID 165498080

IUPAC3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one
SMILESCCC1CCC(O)CC1n1cnccc1=O
InChIInChI=1S/C12H18N2O2/c1-2-9-3-4-10(15)7-11(9)14-8-13-6-5-12(14)16/h5-6,8-11,15H,2-4,7H2,1H3
InChIKeySGOVAYWYOQJXPP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.36
Rot. Bonds2

About 3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one

3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one (PubChem CID 165498080) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one
PubChem CID165498080
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one
SMILESCCC1CCC(O)CC1n1cnccc1=O
InChIInChI=1S/C12H18N2O2/c1-2-9-3-4-10(15)7-11(9)14-8-13-6-5-12(14)16/h5-6,8-11,15H,2-4,7H2,1H3
InChIKeySGOVAYWYOQJXPP-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one?
The IUPAC name of 3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one (CID 165498080) is 3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one is CCC1CCC(O)CC1n1cnccc1=O.
What is the InChIKey of 3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one?
The InChIKey is SGOVAYWYOQJXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-9-3-4-10(15)7-11(9)14-8-13-6-5-12(14)16/h5-6,8-11,15H,2-4,7H2,1H3.
What are the key properties of 3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one?
3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-hydroxycyclohexyl)pyrimidin-4-one is sourced from PubChem (CID 165498080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).