4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C19H17F6N7 — CID 155523622

IUPAC4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILES[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C19H17F6N7/c1-10(2)9-27-16-30-15(12-4-3-5-13(29-12)18(20,21)22)31-17(32-16)28-11-6-7-26-14(8-11)19(23,24)25/h3-8,10H,9H2,1-2H3,(H2,26,27,28,30,31,32)/i1D3,2D3,9D2,10D
InChIKeyJBKXNKWFMRMPIL-RNURUPCJSA-N
MW466.44 g/mol
LogP5.18
Rot. Bonds8

About 4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 155523622) has the molecular formula C19H17F6N7 and a molecular weight of 466.44 g/mol. Its IUPAC name is 4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID155523622
Molecular FormulaC19H17F6N7
Molecular Weight466.44 g/mol
Exact Mass466.20
IUPAC Name4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILES[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C19H17F6N7/c1-10(2)9-27-16-30-15(12-4-3-5-13(29-12)18(20,21)22)31-17(32-16)28-11-6-7-26-14(8-11)19(23,24)25/h3-8,10H,9H2,1-2H3,(H2,26,27,28,30,31,32)/i1D3,2D3,9D2,10D
InChIKeyJBKXNKWFMRMPIL-RNURUPCJSA-N
XLogP5.18
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.44
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-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 4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 155523622) is 4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JBKXNKWFMRMPIL-RNURUPCJSA-N. The full InChI is InChI=1S/C19H17F6N7/c1-10(2)9-27-16-30-15(12-4-3-5-13(29-12)18(20,21)22)31-17(32-16)28-11-6-7-26-14(8-11)19(23,24)25/h3-8,10H,9H2,1-2H3,(H2,26,27,28,30,31,32)/i1D3,2D3,9D2,10D.
What are the key properties of 4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 466.44 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155523622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).