4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C8H9F3N4 — CID 63867458

IUPAC4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C8H9F3N4/c9-8(10,11)3-5-13-6(4-1-2-4)15-7(12)14-5/h4H,1-3H2,(H2,12,13,14,15)
InChIKeyFXTYVBAQCSXEBR-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.44
Rot. Bonds2

About 4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 63867458) has the molecular formula C8H9F3N4 and a molecular weight of 218.18 g/mol. Its IUPAC name is 4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID63867458
Molecular FormulaC8H9F3N4
Molecular Weight218.18 g/mol
Exact Mass218.08
IUPAC Name4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(CC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C8H9F3N4/c9-8(10,11)3-5-13-6(4-1-2-4)15-7(12)14-5/h4H,1-3H2,(H2,12,13,14,15)
InChIKeyFXTYVBAQCSXEBR-UHFFFAOYSA-N
XLogP1.44
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 63867780
4-cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964959
4-chloro-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 83241671
4-cycloheptyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 63868763
4-ethyl-6-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 65334319
4-cyclopentyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63867162
4-cycloheptyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63868369
4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine
CID 63867001
4-cycloheptyl-6-(cyclopentylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65140552
4-cyclohexyl-6-(cyclohexylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65144233
4-(cyclohexylsulfanylmethyl)-6-cyclopentyl-1,3,5-triazin-2-amine
CID 65144232
4-cyclohexyl-6-cyclopentyl-1,3,5-triazin-2-amine
CID 63868885

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 63867458) is 4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is Nc1nc(CC(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is FXTYVBAQCSXEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4/c9-8(10,11)3-5-13-6(4-1-2-4)15-7(12)14-5/h4H,1-3H2,(H2,12,13,14,15).
What are the key properties of 4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 218.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).