4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

C47H90N10O2 — CID 57067143

IUPAC4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCOC(CCNc1nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C47H90N10O2/c1-40(2)23-31(24-41(3,4)53-40)35(58-17)19-21-48-37-50-38(49-22-20-36(59-18)32-25-42(5,6)54-43(7,8)26-32)52-39(51-37)57(33-27-44(9,10)55-45(11,12)28-33)34-29-46(13,14)56-47(15,16)30-34/h31-36,53-56H,19-30H2,1-18H3,(H2,48,49,50,51,52)
InChIKeyBMEUCOKZGRTGRA-UHFFFAOYSA-N
MW827.30 g/mol
LogP8.04
Rot. Bonds15

About 4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 57067143) has the molecular formula C47H90N10O2 and a molecular weight of 827.30 g/mol. Its IUPAC name is 4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID57067143
Molecular FormulaC47H90N10O2
Molecular Weight827.30 g/mol
Exact Mass826.72
IUPAC Name4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCOC(CCNc1nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C47H90N10O2/c1-40(2)23-31(24-41(3,4)53-40)35(58-17)19-21-48-37-50-38(49-22-20-36(59-18)32-25-42(5,6)54-43(7,8)26-32)52-39(51-37)57(33-27-44(9,10)55-45(11,12)28-33)34-29-46(13,14)56-47(15,16)30-34/h31-36,53-56H,19-30H2,1-18H3,(H2,48,49,50,51,52)
InChIKeyBMEUCOKZGRTGRA-UHFFFAOYSA-N
XLogP8.04
TPSA132.55 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms59
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500827.30
LogP ≤ 58.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N''-pentakis(3-((4,6-bis((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-N''-(3-((4-((3-(dimethylamino)propyl)amino)-6-((3-methoxypropyl)(2,2,6,6-tetramethyl-4-piperidinyl)amino)-1,3,5-triazin-2-yl)amino)propyl)-
CID 131632934
4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-N,N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazin-2-amine
CID 14365123
4-N,6-N-bis(3-methoxypropyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365131
4-N,6-N-bis(oxolan-2-ylmethyl)-2-N,2-N,4-N,6-N-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365132
N,N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-4,6-bis[(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy]-1,3,5-triazin-2-amine
CID 14365137
4-N,4-N-bis[3-[[4-[bis(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazin-2-yl]-(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]propyl]-2-N,2-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxy-1,3,5-triazine-2,4-diamine
CID 19031690
2-N-(methoxymethyl)-6-N-[6-[[4-[methoxymethyl-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 19090181
2-N,6-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-2-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-1,3,5-triazine-2,4,6-triamine
CID 19090193
2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-6-N-[6-[[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 19090198
2-N-[6-[[4-amino-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)-4-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 19090211
2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-6-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-4-N-[6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-[4-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-6-[(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-(methoxymethyl)amino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 19090216
2-N-[6-[[4-amino-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 19090226

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine (CID 57067143) is 4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is COC(CCNc1nc(NCCC(OC)C2CC(C)(C)NC(C)(C)C2)nc(N(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BMEUCOKZGRTGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H90N10O2/c1-40(2)23-31(24-41(3,4)53-40)35(58-17)19-21-48-37-50-38(49-22-20-36(59-18)32-25-42(5,6)54-43(7,8)26-32)52-39(51-37)57(33-27-44(9,10)55-45(11,12)28-33)34-29-46(13,14)56-47(15,16)30-34/h31-36,53-56H,19-30H2,1-18H3,(H2,48,49,50,51,52).
What are the key properties of 4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 827.30 g/mol, XLogP of 8.04, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis[3-methoxy-3-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]-2-N,2-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 57067143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).