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

C12H19F3N6 — CID 80829194

IUPAC2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C)nc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H19F3N6/c1-16-9-17-10(20(2)3)19-11(18-9)21-6-4-5-8(7-21)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17,18,19)
InChIKeyARFHCUAJIXZRMK-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.76
Rot. Bonds3

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

2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 80829194) has the molecular formula C12H19F3N6 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID80829194
Molecular FormulaC12H19F3N6
Molecular Weight304.32 g/mol
Exact Mass304.16
IUPAC Name2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)C)nc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C12H19F3N6/c1-16-9-17-10(20(2)3)19-11(18-9)21-6-4-5-8(7-21)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17,18,19)
InChIKeyARFHCUAJIXZRMK-UHFFFAOYSA-N
XLogP1.76
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine (CID 80829194) is 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine is CNc1nc(N(C)C)nc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ARFHCUAJIXZRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N6/c1-16-9-17-10(20(2)3)19-11(18-9)21-6-4-5-8(7-21)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17,18,19).
What are the key properties of 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine?
2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 304.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80829194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).