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

C13H18F3N3O — CID 114566214

IUPAC4-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC1CCCCC1Oc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C13H18F3N3O/c1-2-8-5-3-4-6-9(8)20-11-7-10(13(14,15)16)18-12(17)19-11/h7-9H,2-6H2,1H3,(H2,17,18,19)
InChIKeyKUIVVEWPNJCMBD-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.43
Rot. Bonds3

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

4-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566214) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566214
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name4-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCC1CCCCC1Oc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C13H18F3N3O/c1-2-8-5-3-4-6-9(8)20-11-7-10(13(14,15)16)18-12(17)19-11/h7-9H,2-6H2,1H3,(H2,17,18,19)
InChIKeyKUIVVEWPNJCMBD-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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Related Compounds

4-(3-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566515
4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566211
4-(2-ethylcyclohexyl)oxy-6-methoxy-1,3,5-triazin-2-amine
CID 80858256
ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 67833415
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566419
2-bromo-6-(2-ethylcyclohexyl)oxypyridine
CID 63964037
4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563976
4-(2-butoxyethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566154
6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966709
4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564036
[4-(2-ethylcyclohexyl)oxypyrimidin-2-yl]hydrazine
CID 80909980
2-(2-ethylcyclohexyl)oxy-3,4-difluoroaniline
CID 62533930

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566214) is 4-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine is CCC1CCCCC1Oc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KUIVVEWPNJCMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-2-8-5-3-4-6-9(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-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2-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-(2-ethylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).