4-(cyclohexylmethoxy)-1H-pyrimidin-6-one

C11H16N2O2 — CID 103241610

IUPAC4-(cyclohexylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CCCCC2)nc[nH]1
InChIInChI=1S/C11H16N2O2/c14-10-6-11(13-8-12-10)15-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,12,13,14)
InChIKeyJMGZUJWXOLKCNZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.73
Rot. Bonds3

About 4-(cyclohexylmethoxy)-1H-pyrimidin-6-one

4-(cyclohexylmethoxy)-1H-pyrimidin-6-one (PubChem CID 103241610) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-1H-pyrimidin-6-one
PubChem CID103241610
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(cyclohexylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC2CCCCC2)nc[nH]1
InChIInChI=1S/C11H16N2O2/c14-10-6-11(13-8-12-10)15-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,12,13,14)
InChIKeyJMGZUJWXOLKCNZ-UHFFFAOYSA-N
XLogP1.73
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-octoxy-1H-pyrimidin-6-one
CID 20559619
4-heptoxy-1H-pyrimidin-6-one
CID 103240427
4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240464
4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240476
4-hexoxy-1H-pyrimidin-6-one
CID 103240497
4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240518
4-cyclohexyloxy-1H-pyrimidin-6-one
CID 103240539
4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240634
4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240648
4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240658
5-amino-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one
CID 103241604
4-(cyclohexylmethoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241607

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclohexylmethoxy)-1H-pyrimidin-6-one (CID 103241610) is 4-(cyclohexylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclohexylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclohexylmethoxy)-1H-pyrimidin-6-one is O=c1cc(OCC2CCCCC2)nc[nH]1.
What is the InChIKey of 4-(cyclohexylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is JMGZUJWXOLKCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-10-6-11(13-8-12-10)15-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,12,13,14).
What are the key properties of 4-(cyclohexylmethoxy)-1H-pyrimidin-6-one?
4-(cyclohexylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).