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

C15H24N2O2 — CID 103240445

IUPAC2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CC(C)CC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H24N2O2/c1-5-12-16-13(18)7-14(17-12)19-11-6-10(2)8-15(3,4)9-11/h7,10-11H,5-6,8-9H2,1-4H3,(H,16,17,18)
InChIKeyUPSVAXWSGUVPPA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.93
Rot. Bonds3

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

2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103240445) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103240445
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CC(C)CC(C)(C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H24N2O2/c1-5-12-16-13(18)7-14(17-12)19-11-6-10(2)8-15(3,4)9-11/h7,10-11H,5-6,8-9H2,1-4H3,(H,16,17,18)
InChIKeyUPSVAXWSGUVPPA-UHFFFAOYSA-N
XLogP2.93
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-propan-2-yl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240447
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-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240512
2-methyl-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240516
4-cyclohexyloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 103240542
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-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103240445) is 2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one is CCc1nc(OC2CC(C)CC(C)(C)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is UPSVAXWSGUVPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-12-16-13(18)7-14(17-12)19-11-6-10(2)8-15(3,4)9-11/h7,10-11H,5-6,8-9H2,1-4H3,(H,16,17,18).
What are the key properties of 2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).