6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C39H72FN9 — CID 131739820

IUPAC6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(N(c2nc(F)nc(N(C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C39H72FN9/c1-32(2)17-25(18-33(3,4)44-32)48(26-19-34(5,6)45-35(7,8)20-26)30-41-29(40)42-31(43-30)49(27-21-36(9,10)46-37(11,12)22-27)28-23-38(13,14)47-39(15,16)24-28/h25-28,44-47H,17-24H2,1-16H3
InChIKeyZNZKPXBRFZZNTJ-UHFFFAOYSA-N
MW686.07 g/mol
LogP6.86
Rot. Bonds6

About 6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 131739820) has the molecular formula C39H72FN9 and a molecular weight of 686.07 g/mol. Its IUPAC name is 6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID131739820
Molecular FormulaC39H72FN9
Molecular Weight686.07 g/mol
Exact Mass685.59
IUPAC Name6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(N(c2nc(F)nc(N(C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C39H72FN9/c1-32(2)17-25(18-33(3,4)44-32)48(26-19-34(5,6)45-35(7,8)20-26)30-41-29(40)42-31(43-30)49(27-21-36(9,10)46-37(11,12)22-27)28-23-38(13,14)47-39(15,16)24-28/h25-28,44-47H,17-24H2,1-16H3
InChIKeyZNZKPXBRFZZNTJ-UHFFFAOYSA-N
XLogP6.86
TPSA93.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.07
LogP ≤ 56.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 131739820) is 6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CC1(C)CC(N(c2nc(F)nc(N(C3CC(C)(C)NC(C)(C)C3)C3CC(C)(C)NC(C)(C)C3)n2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of 6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZNZKPXBRFZZNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H72FN9/c1-32(2)17-25(18-33(3,4)44-32)48(26-19-34(5,6)45-35(7,8)20-26)30-41-29(40)42-31(43-30)49(27-21-36(9,10)46-37(11,12)22-27)28-23-38(13,14)47-39(15,16)24-28/h25-28,44-47H,17-24H2,1-16H3.
What are the key properties of 6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 686.07 g/mol, XLogP of 6.86, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-N,2-N,4-N,4-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 131739820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).