2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one

C15H22N2O2 — CID 103241709

IUPAC2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CCC(Oc2cc(=O)[nH]c(C3CC3)n2)CC1C
InChIInChI=1S/C15H22N2O2/c1-9-3-6-12(7-10(9)2)19-14-8-13(18)16-15(17-14)11-4-5-11/h8-12H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyWNEATLHPWQAUCB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.85
Rot. Bonds3

About 2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one

2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103241709) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103241709
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CCC(Oc2cc(=O)[nH]c(C3CC3)n2)CC1C
InChIInChI=1S/C15H22N2O2/c1-9-3-6-12(7-10(9)2)19-14-8-13(18)16-15(17-14)11-4-5-11/h8-12H,3-7H2,1-2H3,(H,16,17,18)
InChIKeyWNEATLHPWQAUCB-UHFFFAOYSA-N
XLogP2.85
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.85
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
2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240441
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-cyclopropyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240512
2-methyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240516
4-cyclohexyloxy-2-cyclopropyl-1H-pyrimidin-6-one
CID 103240532
2-cyclopropyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240630
2-methyl-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240633
4-(4-methylcyclohexyl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240636
2-cyclopropyl-4-(2-ethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240641

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103241709) is 2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one is CC1CCC(Oc2cc(=O)[nH]c(C3CC3)n2)CC1C.
What is the InChIKey of 2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is WNEATLHPWQAUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-3-6-12(7-10(9)2)19-14-8-13(18)16-15(17-14)11-4-5-11/h8-12H,3-7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 262.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3,4-dimethylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).