6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

C36H62N14O4 — CID 54419777

IUPAC6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESC(CN1CCOCC1)Nc1nc(NCCN2CCOCC2)nc(C2CCC(c3nc(NCCN4CCOCC4)nc(NCCN4CCOCC4)n3)CC2)n1
InChIInChI=1S/C36H62N14O4/c1-2-30(32-43-35(39-7-11-49-17-25-53-26-18-49)46-36(44-32)40-8-12-50-19-27-54-28-20-50)4-3-29(1)31-41-33(37-5-9-47-13-21-51-22-14-47)45-34(42-31)38-6-10-48-15-23-52-24-16-48/h29-30H,1-28H2,(H2,37,38,41,42,45)(H2,39,40,43,44,46)
InChIKeyVZYYQSAFVROEJS-UHFFFAOYSA-N
MW754.99 g/mol
LogP0.47
Rot. Bonds18

About 6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine

6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 54419777) has the molecular formula C36H62N14O4 and a molecular weight of 754.99 g/mol. Its IUPAC name is 6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID54419777
Molecular FormulaC36H62N14O4
Molecular Weight754.99 g/mol
Exact Mass754.51
IUPAC Name6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESC(CN1CCOCC1)Nc1nc(NCCN2CCOCC2)nc(C2CCC(c3nc(NCCN4CCOCC4)nc(NCCN4CCOCC4)n3)CC2)n1
InChIInChI=1S/C36H62N14O4/c1-2-30(32-43-35(39-7-11-49-17-25-53-26-18-49)46-36(44-32)40-8-12-50-19-27-54-28-20-50)4-3-29(1)31-41-33(37-5-9-47-13-21-51-22-14-47)45-34(42-31)38-6-10-48-15-23-52-24-16-48/h29-30H,1-28H2,(H2,37,38,41,42,45)(H2,39,40,43,44,46)
InChIKeyVZYYQSAFVROEJS-UHFFFAOYSA-N
XLogP0.47
TPSA175.34 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.99
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-ethyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)heptane-1,7-diamine;2-N,4-N,6-trimethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 53678966
4-N,6-dimethyl-2-N-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine;N-methyl-N'-(4-methyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 53690110
6-[3-[4,6-bis(2-piperazin-1-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-piperazin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 53815598
6-[6-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 53925269
6-[4-[4,6-bis(3-piperidin-1-ylpropylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(3-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 54011673
6-[5-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 54215998
6-[4-[4-Amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
CID 54436571
6-[5-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 54568944
N-[4-morpholin-4-yl-6-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pentan-3-yl]-1,3,5-triazin-2-yl]-N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-N'-pentan-3-ylhexane-1,6-diamine
CID 66803339
6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 67592814
6-[3-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 67613450
6-[4-[4-amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-5-cycloheptylcycloheptyl]-2-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 67671789

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine (CID 54419777) is 6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is C(CN1CCOCC1)Nc1nc(NCCN2CCOCC2)nc(C2CCC(c3nc(NCCN4CCOCC4)nc(NCCN4CCOCC4)n3)CC2)n1.
What is the InChIKey of 6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VZYYQSAFVROEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62N14O4/c1-2-30(32-43-35(39-7-11-49-17-25-53-26-18-49)46-36(44-32)40-8-12-50-19-27-54-28-20-50)4-3-29(1)31-41-33(37-5-9-47-13-21-51-22-14-47)45-34(42-31)38-6-10-48-15-23-52-24-16-48/h29-30H,1-28H2,(H2,37,38,41,42,45)(H2,39,40,43,44,46).
What are the key properties of 6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine?
6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 754.99 g/mol, XLogP of 0.47, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4,6-bis(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54419777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).