2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one

C12H18N2O2 — CID 116744928

IUPAC2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nccc(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C12H18N2O2/c1-9-4-3-6-12(8-9,16-2)11-13-7-5-10(15)14-11/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,14,15)
InChIKeyOAASGYOSELWUPN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.82
Rot. Bonds2

About 2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one

2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one (PubChem CID 116744928) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
PubChem CID116744928
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nccc(=O)[nH]2)CCCC(C)C1
InChIInChI=1S/C12H18N2O2/c1-9-4-3-6-12(8-9,16-2)11-13-7-5-10(15)14-11/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,14,15)
InChIKeyOAASGYOSELWUPN-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80690677
2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609905
2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 113559510
2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559530
5-iodo-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559580
5-(aminomethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113563478
5-(chloromethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114205199
5-amino-2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114206995
5-amino-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114207002
2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744914
2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116744915

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one (CID 116744928) is 2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one is COC1(c2nccc(=O)[nH]2)CCCC(C)C1.
What is the InChIKey of 2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is OAASGYOSELWUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-3-6-12(8-9,16-2)11-13-7-5-10(15)14-11/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one?
2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116744928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).