6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine

C8H10F6N6 — CID 10425108

IUPAC6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1
InChIInChI=1S/C8H10F6N6/c1-15-4-18-5(16-2-7(9,10)11)20-6(19-4)17-3-8(12,13)14/h2-3H2,1H3,(H3,15,16,17,18,19,20)
InChIKeyDZMCBOBUEQONAW-UHFFFAOYSA-N
MW304.20 g/mol
LogP1.86
Rot. Bonds5

About 6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine

6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 10425108) has the molecular formula C8H10F6N6 and a molecular weight of 304.20 g/mol. Its IUPAC name is 6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID10425108
Molecular FormulaC8H10F6N6
Molecular Weight304.20 g/mol
Exact Mass304.09
IUPAC Name6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1
InChIInChI=1S/C8H10F6N6/c1-15-4-18-5(16-2-7(9,10)11)20-6(19-4)17-3-8(12,13)14/h2-3H2,1H3,(H3,15,16,17,18,19,20)
InChIKeyDZMCBOBUEQONAW-UHFFFAOYSA-N
XLogP1.86
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine (CID 10425108) is 6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine is CNc1nc(NCC(F)(F)F)nc(NCC(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DZMCBOBUEQONAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N6/c1-15-4-18-5(16-2-7(9,10)11)20-6(19-4)17-3-8(12,13)14/h2-3H2,1H3,(H3,15,16,17,18,19,20).
What are the key properties of 6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine?
6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 304.20 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N,4-N-bis(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10425108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).