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

C6H8F3N5 — CID 130532642

IUPAC6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N5/c1-3-12-4(10)14-5(13-3)11-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14)
InChIKeyODPODORSTPWANL-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.74
Rot. Bonds2

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

6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 130532642) has the molecular formula C6H8F3N5 and a molecular weight of 207.16 g/mol. Its IUPAC name is 6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID130532642
Molecular FormulaC6H8F3N5
Molecular Weight207.16 g/mol
Exact Mass207.07
IUPAC Name6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NCC(F)(F)F)n1
InChIInChI=1S/C6H8F3N5/c1-3-12-4(10)14-5(13-3)11-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14)
InChIKeyODPODORSTPWANL-UHFFFAOYSA-N
XLogP0.74
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 130532642) is 6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(NCC(F)(F)F)n1.
What is the InChIKey of 6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ODPODORSTPWANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N5/c1-3-12-4(10)14-5(13-3)11-2-6(7,8)9/h2H2,1H3,(H3,10,11,12,13,14).
What are the key properties of 6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 207.16 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130532642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).