6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

C25H46ClN7 — CID 15250400

IUPAC6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(CCNc2nc(Cl)nc(NCCC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C25H46ClN7/c1-22(2)13-17(14-23(3,4)32-22)9-11-27-20-29-19(26)30-21(31-20)28-12-10-18-15-24(5,6)33-25(7,8)16-18/h17-18,32-33H,9-16H2,1-8H3,(H2,27,28,29,30,31)
InChIKeyBQSVYPGSONEVFF-UHFFFAOYSA-N
MW480.15 g/mol
LogP5.24
Rot. Bonds8

About 6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 15250400) has the molecular formula C25H46ClN7 and a molecular weight of 480.15 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID15250400
Molecular FormulaC25H46ClN7
Molecular Weight480.15 g/mol
Exact Mass479.35
IUPAC Name6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(CCNc2nc(Cl)nc(NCCC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C25H46ClN7/c1-22(2)13-17(14-23(3,4)32-22)9-11-27-20-29-19(26)30-21(31-20)28-12-10-18-15-24(5,6)33-25(7,8)16-18/h17-18,32-33H,9-16H2,1-8H3,(H2,27,28,29,30,31)
InChIKeyBQSVYPGSONEVFF-UHFFFAOYSA-N
XLogP5.24
TPSA86.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.15
LogP ≤ 55.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 15250400) is 6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is CC1(C)CC(CCNc2nc(Cl)nc(NCCC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1.
What is the InChIKey of 6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is BQSVYPGSONEVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46ClN7/c1-22(2)13-17(14-23(3,4)32-22)9-11-27-20-29-19(26)30-21(31-20)28-12-10-18-15-24(5,6)33-25(7,8)16-18/h17-18,32-33H,9-16H2,1-8H3,(H2,27,28,29,30,31).
What are the key properties of 6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 480.15 g/mol, XLogP of 5.24, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis[2-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15250400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).