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

C25H46ClN7 — CID 19388412

IUPAC6-chloro-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Cl)nc(NC(C)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H46ClN7/c1-15(17-11-22(3,4)32-23(5,6)12-17)27-20-29-19(26)30-21(31-20)28-16(2)18-13-24(7,8)33-25(9,10)14-18/h15-18,32-33H,11-14H2,1-10H3,(H2,27,28,29,30,31)
InChIKeyHLNVPUSHTUANJZ-UHFFFAOYSA-N
MW480.15 g/mol
LogP5.24
Rot. Bonds6

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

6-chloro-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19388412) 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[1-(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[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID19388412
Molecular FormulaC25H46ClN7
Molecular Weight480.15 g/mol
Exact Mass479.35
IUPAC Name6-chloro-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(Cl)nc(NC(C)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H46ClN7/c1-15(17-11-22(3,4)32-23(5,6)12-17)27-20-29-19(26)30-21(31-20)28-16(2)18-13-24(7,8)33-25(9,10)14-18/h15-18,32-33H,11-14H2,1-10H3,(H2,27,28,29,30,31)
InChIKeyHLNVPUSHTUANJZ-UHFFFAOYSA-N
XLogP5.24
TPSA86.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
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[1-(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[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine (CID 19388412) is 6-chloro-2-N,4-N-bis[1-(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[1-(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[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is CC(Nc1nc(Cl)nc(NC(C)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-chloro-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is HLNVPUSHTUANJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46ClN7/c1-15(17-11-22(3,4)32-23(5,6)12-17)27-20-29-19(26)30-21(31-20)28-16(2)18-13-24(7,8)33-25(9,10)14-18/h15-18,32-33H,11-14H2,1-10H3,(H2,27,28,29,30,31).
What are the key properties of 6-chloro-2-N,4-N-bis[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis[1-(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, 6 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[1-(2,2,6,6-tetramethylpiperidin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19388412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).