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

C21H38ClN7 — CID 21468017

IUPAC6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(Cl)nc(NC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C21H38ClN7/c1-18(2)9-13(10-19(3,4)28-18)23-16-25-15(22)26-17(27-16)24-14-11-20(5,6)29-21(7,8)12-14/h13-14,28-29H,9-12H2,1-8H3,(H2,23,24,25,26,27)
InChIKeyMCAKMOGADGETCM-UHFFFAOYSA-N
MW424.04 g/mol
LogP3.97
Rot. Bonds4

About 6-chloro-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-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 21468017) has the molecular formula C21H38ClN7 and a molecular weight of 424.04 g/mol. Its IUPAC name is 6-chloro-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-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID21468017
Molecular FormulaC21H38ClN7
Molecular Weight424.04 g/mol
Exact Mass423.29
IUPAC Name6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(Cl)nc(NC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
InChIInChI=1S/C21H38ClN7/c1-18(2)9-13(10-19(3,4)28-18)23-16-25-15(22)26-17(27-16)24-14-11-20(5,6)29-21(7,8)12-14/h13-14,28-29H,9-12H2,1-8H3,(H2,23,24,25,26,27)
InChIKeyMCAKMOGADGETCM-UHFFFAOYSA-N
XLogP3.97
TPSA86.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.04
LogP ≤ 53.97
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(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 21468017) is 6-chloro-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-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-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CC1(C)CC(Nc2nc(Cl)nc(NC3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MCAKMOGADGETCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38ClN7/c1-18(2)9-13(10-19(3,4)28-18)23-16-25-15(22)26-17(27-16)24-14-11-20(5,6)29-21(7,8)12-14/h13-14,28-29H,9-12H2,1-8H3,(H2,23,24,25,26,27).
What are the key properties of 6-chloro-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-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 424.04 g/mol, XLogP of 3.97, 4 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(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 21468017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).