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

C21H40N8O2 — CID 91300319

IUPAC2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1(C)CC(Nc2nc(N)nc(NC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C21H40N8O2/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,(H4,22,23,24,25,26,27)
InChIKeyLBDNPBXSVTWUGQ-UHFFFAOYSA-N
MW436.61 g/mol
LogP3.10
Rot. Bonds4

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

2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 91300319) has the molecular formula C21H40N8O2 and a molecular weight of 436.61 g/mol. Its IUPAC name is 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID91300319
Molecular FormulaC21H40N8O2
Molecular Weight436.61 g/mol
Exact Mass436.33
IUPAC Name2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC1(C)CC(Nc2nc(N)nc(NC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O
InChIInChI=1S/C21H40N8O2/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,(H4,22,23,24,25,26,27)
InChIKeyLBDNPBXSVTWUGQ-UHFFFAOYSA-N
XLogP3.10
TPSA135.69 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.61
LogP ≤ 53.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 91300319) is 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is CC1(C)CC(Nc2nc(N)nc(NC3CC(C)(C)N(O)C(C)(C)C3)n2)CC(C)(C)N1O.
What is the InChIKey of 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LBDNPBXSVTWUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N8O2/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,(H4,22,23,24,25,26,27).
What are the key properties of 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 436.61 g/mol, XLogP of 3.10, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 91300319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).