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

C14H22N2O3 — CID 103240443

IUPAC5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CC(C)CC(C)(C)C2)nc[nH]c1=O
InChIInChI=1S/C14H22N2O3/c1-9-5-10(7-14(2,3)6-9)19-13-11(18-4)12(17)15-8-16-13/h8-10H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyJEEBDLIWNBFAAQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.37
Rot. Bonds3

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

5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103240443) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103240443
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CC(C)CC(C)(C)C2)nc[nH]c1=O
InChIInChI=1S/C14H22N2O3/c1-9-5-10(7-14(2,3)6-9)19-13-11(18-4)12(17)15-8-16-13/h8-10H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyJEEBDLIWNBFAAQ-UHFFFAOYSA-N
XLogP2.37
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103240443) is 5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one is COc1c(OC2CC(C)CC(C)(C)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is JEEBDLIWNBFAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-5-10(7-14(2,3)6-9)19-13-11(18-4)12(17)15-8-16-13/h8-10H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one?
5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).