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

C21H38FN7O2 — CID 91266449

IUPAC6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(F)nc(NC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C21H38FN7O2/c1-18(2)9-13(10-19(3,4)28(18)30)23-16-25-15(22)26-17(27-16)24-14-11-20(5,6)29(31)21(7,8)12-14/h13-14,30-31H,9-12H2,1-8H3,(H2,23,24,25,26,27)
InChIKeyXAQSZDVUUBPLEP-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.66
Rot. Bonds4

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

6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 91266449) has the molecular formula C21H38FN7O2 and a molecular weight of 439.58 g/mol. Its IUPAC name is 6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID91266449
Molecular FormulaC21H38FN7O2
Molecular Weight439.58 g/mol
Exact Mass439.31
IUPAC Name6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(F)nc(NC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C21H38FN7O2/c1-18(2)9-13(10-19(3,4)28(18)30)23-16-25-15(22)26-17(27-16)24-14-11-20(5,6)29(31)21(7,8)12-14/h13-14,30-31H,9-12H2,1-8H3,(H2,23,24,25,26,27)
InChIKeyXAQSZDVUUBPLEP-UHFFFAOYSA-N
XLogP3.66
TPSA109.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-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-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 91266449) is 6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CC1(C)CC(Nc2nc(F)nc(NC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O.
What is the InChIKey of 6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is XAQSZDVUUBPLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38FN7O2/c1-18(2)9-13(10-19(3,4)28(18)30)23-16-25-15(22)26-17(27-16)24-14-11-20(5,6)29(31)21(7,8)12-14/h13-14,30-31H,9-12H2,1-8H3,(H2,23,24,25,26,27).
What are the key properties of 6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 439.58 g/mol, XLogP of 3.66, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91266449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).