4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one

C11H16N2O2 — CID 103240518

IUPAC4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CCCC(Oc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H16N2O2/c1-8-3-2-4-9(5-8)15-11-6-10(14)12-7-13-11/h6-9H,2-5H2,1H3,(H,12,13,14)
InChIKeyFOWXODPLHAWKSL-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.73
Rot. Bonds2

About 4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one

4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103240518) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103240518
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CCCC(Oc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H16N2O2/c1-8-3-2-4-9(5-8)15-11-6-10(14)12-7-13-11/h6-9H,2-5H2,1H3,(H,12,13,14)
InChIKeyFOWXODPLHAWKSL-UHFFFAOYSA-N
XLogP1.73
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103240518) is 4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one is CC1CCCC(Oc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is FOWXODPLHAWKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-3-2-4-9(5-8)15-11-6-10(14)12-7-13-11/h6-9H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).