2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one

C12H18N2O2 — CID 136963555

IUPAC2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H18N2O2/c1-9-8-10(15)14-11(13-9)12(16-2)6-4-3-5-7-12/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyXSCLXJZHDYPYQY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.88
Rot. Bonds2

About 2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one

2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136963555) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136963555
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C12H18N2O2/c1-9-8-10(15)14-11(13-9)12(16-2)6-4-3-5-7-12/h8H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyXSCLXJZHDYPYQY-UHFFFAOYSA-N
XLogP1.88
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxy-4-methylcyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963826
5-fluoro-2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963834
5-fluoro-2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963839
5-fluoro-2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136983390
2-(1-ethoxycyclohexyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136983392
5-fluoro-2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136983393
4-hydroxy-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559533
2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744916
2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744925
4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116745096
2-(1-ethoxycyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745104
4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287883

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one (CID 136963555) is 2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one is COC1(c2nc(C)cc(=O)[nH]2)CCCCC1.
What is the InChIKey of 2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is XSCLXJZHDYPYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-8-10(15)14-11(13-9)12(16-2)6-4-3-5-7-12/h8H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one?
2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclohexyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).