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

C12H16F3N3O — CID 114566211

IUPAC4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CCC(Oc2cc(C(F)(F)F)nc(N)n2)CC1
InChIInChI=1S/C12H16F3N3O/c1-7-2-4-8(5-3-7)19-10-6-9(12(13,14)15)17-11(16)18-10/h6-8H,2-5H2,1H3,(H2,16,17,18)
InChIKeyWQAWHGGNBQATJS-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.04
Rot. Bonds2

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

4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566211) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566211
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCC1CCC(Oc2cc(C(F)(F)F)nc(N)n2)CC1
InChIInChI=1S/C12H16F3N3O/c1-7-2-4-8(5-3-7)19-10-6-9(12(13,14)15)17-11(16)18-10/h6-8H,2-5H2,1H3,(H2,16,17,18)
InChIKeyWQAWHGGNBQATJS-UHFFFAOYSA-N
XLogP3.04
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566211) is 4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine is CC1CCC(Oc2cc(C(F)(F)F)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WQAWHGGNBQATJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-7-2-4-8(5-3-7)19-10-6-9(12(13,14)15)17-11(16)18-10/h6-8H,2-5H2,1H3,(H2,16,17,18).
What are the key properties of 4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine?
4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 275.27 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).