4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine

C13H18F3N3O — CID 114566515

IUPAC4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC1CCCC(Oc2cc(C(F)(F)F)nc(N)n2)C1
InChIInChI=1S/C13H18F3N3O/c1-2-8-4-3-5-9(6-8)20-11-7-10(13(14,15)16)18-12(17)19-11/h7-9H,2-6H2,1H3,(H2,17,18,19)
InChIKeyZZKURZLOLOPTLF-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.43
Rot. Bonds3

About 4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine

4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566515) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566515
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC1CCCC(Oc2cc(C(F)(F)F)nc(N)n2)C1
InChIInChI=1S/C13H18F3N3O/c1-2-8-4-3-5-9(6-8)20-11-7-10(13(14,15)16)18-12(17)19-11/h7-9H,2-6H2,1H3,(H2,17,18,19)
InChIKeyZZKURZLOLOPTLF-UHFFFAOYSA-N
XLogP3.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566515) is 4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine is CCC1CCCC(Oc2cc(C(F)(F)F)nc(N)n2)C1.
What is the InChIKey of 4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZZKURZLOLOPTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-8-4-3-5-9(6-8)20-11-7-10(13(14,15)16)18-12(17)19-11/h7-9H,2-6H2,1H3,(H2,17,18,19).
What are the key properties of 4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 289.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).