2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one

C16H24N2O2 — CID 103240441

IUPAC2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CC(Oc2cc(=O)[nH]c(C3CC3)n2)CC(C)(C)C1
InChIInChI=1S/C16H24N2O2/c1-10-6-12(9-16(2,3)8-10)20-14-7-13(19)17-15(18-14)11-4-5-11/h7,10-12H,4-6,8-9H2,1-3H3,(H,17,18,19)
InChIKeyFWFKLTSHHAYKQA-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.24
Rot. Bonds3

About 2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one

2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103240441) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103240441
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CC(Oc2cc(=O)[nH]c(C3CC3)n2)CC(C)(C)C1
InChIInChI=1S/C16H24N2O2/c1-10-6-12(9-16(2,3)8-10)20-14-7-13(19)17-15(18-14)11-4-5-11/h7,10-12H,4-6,8-9H2,1-3H3,(H,17,18,19)
InChIKeyFWFKLTSHHAYKQA-UHFFFAOYSA-N
XLogP3.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-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
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
2-cyclopropyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240652
2-ethyl-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240657

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103240441) is 2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one is CC1CC(Oc2cc(=O)[nH]c(C3CC3)n2)CC(C)(C)C1.
What is the InChIKey of 2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is FWFKLTSHHAYKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-6-12(9-16(2,3)8-10)20-14-7-13(19)17-15(18-14)11-4-5-11/h7,10-12H,4-6,8-9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).