2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one

C12H18N2O2 — CID 10911140

IUPAC2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(OC2CCCCC2)n1
InChIInChI=1S/C12H18N2O2/c1-9-8-11(15)14(2)12(13-9)16-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyRIMGGPGTEBEQSD-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.80
Rot. Bonds2

About 2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one

2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one (PubChem CID 10911140) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one
PubChem CID10911140
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(OC2CCCCC2)n1
InChIInChI=1S/C12H18N2O2/c1-9-8-11(15)14(2)12(13-9)16-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3
InChIKeyRIMGGPGTEBEQSD-UHFFFAOYSA-N
XLogP1.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one?
The IUPAC name of 2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one (CID 10911140) is 2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one?
The canonical SMILES for 2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(C)c(OC2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one?
The InChIKey is RIMGGPGTEBEQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-8-11(15)14(2)12(13-9)16-10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one?
2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-3,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 10911140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).