6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine

C10H15F3N6 — CID 167885241

IUPAC6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(N[C@@H]2CCN[C@H](C(F)(F)F)C2)n1
InChIInChI=1S/C10H15F3N6/c1-5-16-8(14)19-9(17-5)18-6-2-3-15-7(4-6)10(11,12)13/h6-7,15H,2-4H2,1H3,(H3,14,16,17,18,19)/t6-,7+/m1/s1
InChIKeySEBFXERPHZDQOJ-RQJHMYQMSA-N
MW276.27 g/mol
LogP0.86
Rot. Bonds2

About 6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine

6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 167885241) has the molecular formula C10H15F3N6 and a molecular weight of 276.27 g/mol. Its IUPAC name is 6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine
PubChem CID167885241
Molecular FormulaC10H15F3N6
Molecular Weight276.27 g/mol
Exact Mass276.13
IUPAC Name6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(N[C@@H]2CCN[C@H](C(F)(F)F)C2)n1
InChIInChI=1S/C10H15F3N6/c1-5-16-8(14)19-9(17-5)18-6-2-3-15-7(4-6)10(11,12)13/h6-7,15H,2-4H2,1H3,(H3,14,16,17,18,19)/t6-,7+/m1/s1
InChIKeySEBFXERPHZDQOJ-RQJHMYQMSA-N
XLogP0.86
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine 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-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine (CID 167885241) is 6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(N[C@@H]2CCN[C@H](C(F)(F)F)C2)n1.
What is the InChIKey of 6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SEBFXERPHZDQOJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H15F3N6/c1-5-16-8(14)19-9(17-5)18-6-2-3-15-7(4-6)10(11,12)13/h6-7,15H,2-4H2,1H3,(H3,14,16,17,18,19)/t6-,7+/m1/s1.
What are the key properties of 6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 276.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[(2S,4R)-2-(trifluoromethyl)piperidin-4-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 167885241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).