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

C23H42ClN7 — CID 14746198

IUPAC6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(c1nc(Cl)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H42ClN7/c1-20(2)11-15(12-21(3,4)28-20)30(9)18-25-17(24)26-19(27-18)31(10)16-13-22(5,6)29-23(7,8)14-16/h15-16,28-29H,11-14H2,1-10H3
InChIKeyWHCHHPSHMFXYDJ-UHFFFAOYSA-N
MW452.09 g/mol
LogP4.02
Rot. Bonds4

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

6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 14746198) has the molecular formula C23H42ClN7 and a molecular weight of 452.09 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID14746198
Molecular FormulaC23H42ClN7
Molecular Weight452.09 g/mol
Exact Mass451.32
IUPAC Name6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(c1nc(Cl)nc(N(C)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H42ClN7/c1-20(2)11-15(12-21(3,4)28-20)30(9)18-25-17(24)26-19(27-18)31(10)16-13-22(5,6)29-23(7,8)14-16/h15-16,28-29H,11-14H2,1-10H3
InChIKeyWHCHHPSHMFXYDJ-UHFFFAOYSA-N
XLogP4.02
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.09
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 14746198) is 6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CN(c1nc(Cl)nc(N(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-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WHCHHPSHMFXYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42ClN7/c1-20(2)11-15(12-21(3,4)28-20)30(9)18-25-17(24)26-19(27-18)31(10)16-13-22(5,6)29-23(7,8)14-16/h15-16,28-29H,11-14H2,1-10H3.
What are the key properties of 6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 452.09 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-dimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14746198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).