2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one

C14H20N2O2 — CID 103240630

IUPAC2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CCC(Oc2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H20N2O2/c1-9-2-6-11(7-3-9)18-13-8-12(17)15-14(16-13)10-4-5-10/h8-11H,2-7H2,1H3,(H,15,16,17)
InChIKeyUWQLNJRYILSMDG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.60
Rot. Bonds3

About 2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one

2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103240630) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103240630
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CCC(Oc2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H20N2O2/c1-9-2-6-11(7-3-9)18-13-8-12(17)15-14(16-13)10-4-5-10/h8-11H,2-7H2,1H3,(H,15,16,17)
InChIKeyUWQLNJRYILSMDG-UHFFFAOYSA-N
XLogP2.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240412
4-octan-2-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240418
2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240441
2-methyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240444
2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240445
2-propan-2-yl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240447
2-cyclopropyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240461
2-ethyl-4-(2-ethylhexoxy)-1H-pyrimidin-6-one
CID 103240463
4-(2-ethylhexoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240467
2-cyclopropyl-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240471
2-cyclopropyl-4-octoxy-1H-pyrimidin-6-one
CID 103240502
2-cyclopropyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240512

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103240630) is 2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one is CC1CCC(Oc2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is UWQLNJRYILSMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-2-6-11(7-3-9)18-13-8-12(17)15-14(16-13)10-4-5-10/h8-11H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).