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

C27H43N7O3 — CID 91802772

IUPAC2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(NC3CC(C)(C)N(O)C(C)(C)C3)nc(Oc3ccccc3)n2)CC(C)(C)N1O
InChIInChI=1S/C27H43N7O3/c1-24(2)14-18(15-25(3,4)33(24)35)28-21-30-22(32-23(31-21)37-20-12-10-9-11-13-20)29-19-16-26(5,6)34(36)27(7,8)17-19/h9-13,18-19,35-36H,14-17H2,1-8H3,(H2,28,29,30,31,32)
InChIKeyLKULDRULXSEKRM-UHFFFAOYSA-N
MW513.69 g/mol
LogP5.31
Rot. Bonds6

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

2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine (PubChem CID 91802772) has the molecular formula C27H43N7O3 and a molecular weight of 513.69 g/mol. Its IUPAC name is 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine
PubChem CID91802772
Molecular FormulaC27H43N7O3
Molecular Weight513.69 g/mol
Exact Mass513.34
IUPAC Name2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(NC3CC(C)(C)N(O)C(C)(C)C3)nc(Oc3ccccc3)n2)CC(C)(C)N1O
InChIInChI=1S/C27H43N7O3/c1-24(2)14-18(15-25(3,4)33(24)35)28-21-30-22(32-23(31-21)37-20-12-10-9-11-13-20)29-19-16-26(5,6)34(36)27(7,8)17-19/h9-13,18-19,35-36H,14-17H2,1-8H3,(H2,28,29,30,31,32)
InChIKeyLKULDRULXSEKRM-UHFFFAOYSA-N
XLogP5.31
TPSA118.90 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.69
LogP ≤ 55.31
H-Bond Donors ≤ 54
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)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine (CID 91802772) is 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine is CC1(C)CC(Nc2nc(NC3CC(C)(C)N(O)C(C)(C)C3)nc(Oc3ccccc3)n2)CC(C)(C)N1O.
What is the InChIKey of 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is LKULDRULXSEKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N7O3/c1-24(2)14-18(15-25(3,4)33(24)35)28-21-30-22(32-23(31-21)37-20-12-10-9-11-13-20)29-19-16-26(5,6)34(36)27(7,8)17-19/h9-13,18-19,35-36H,14-17H2,1-8H3,(H2,28,29,30,31,32).
What are the key properties of 2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-phenoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 513.69 g/mol, XLogP of 5.31, 6 rotatable bonds, 4 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)-6-phenoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91802772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).