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

C37H62N14O4 — CID 54568944

IUPAC6-[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
SMILESC(CN1CCOCC1)Nc1nc(NCCN2CCOCC2)nc(C2CC3CC2CC3c2nc(NCCN3CCOCC3)nc(NCCN3CCOCC3)n2)n1
InChIInChI=1S/C37H62N14O4/c1(5-48-9-17-52-18-10-48)38-34-42-32(43-35(46-34)39-2-6-49-11-19-53-20-12-49)30-26-29-25-28(30)27-31(29)33-44-36(40-3-7-50-13-21-54-22-14-50)47-37(45-33)41-4-8-51-15-23-55-24-16-51/h28-31H,1-27H2,(H2,38,39,42,43,46)(H2,40,41,44,45,47)
InChIKeyZVWBJPPPQCHSKV-UHFFFAOYSA-N
MW767.00 g/mol
LogP0.33
Rot. Bonds18

About 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

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 (PubChem CID 54568944) has the molecular formula C37H62N14O4 and a molecular weight of 767.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID54568944
Molecular FormulaC37H62N14O4
Molecular Weight767.00 g/mol
Exact Mass766.51
IUPAC Name6-[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
SMILESC(CN1CCOCC1)Nc1nc(NCCN2CCOCC2)nc(C2CC3CC2CC3c2nc(NCCN3CCOCC3)nc(NCCN3CCOCC3)n2)n1
InChIInChI=1S/C37H62N14O4/c1(5-48-9-17-52-18-10-48)38-34-42-32(43-35(46-34)39-2-6-49-11-19-53-20-12-49)30-26-29-25-28(30)27-31(29)33-44-36(40-3-7-50-13-21-54-22-14-50)47-37(45-33)41-4-8-51-15-23-55-24-16-51/h28-31H,1-27H2,(H2,38,39,42,43,46)(H2,40,41,44,45,47)
InChIKeyZVWBJPPPQCHSKV-UHFFFAOYSA-N
XLogP0.33
TPSA175.34 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.00
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-N,4-N-bis(2-aminoethyl)-6-[5-[4,6-bis[2-aminoethyl(2-piperazin-1-ylethyl)amino]-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-piperazin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 18926677
6-[6-[4,6-bis(3-piperazin-1-ylpropylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(3-piperazin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 53674513
6-[5-[4-Amino-6-(2-morpholin-4-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazine-2,4-diamine
CID 53823487
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-[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-[6-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 54377801
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
6-[5-[4,6-bis(2-piperidin-1-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 57067603
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
azane;6-[5-[4,6-bis[1-(2-ethylpiperazin-1-yl)ethylamino]-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis[1-(2-ethylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 67709443
2-N,4-N-bis[1-[2-(1-aminoethyl)piperazin-1-yl]ethyl]-6-[5-[4,6-bis[1-[2-(1-aminoethyl)piperazin-1-yl]ethylamino]-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazine-2,4-diamine
CID 88375702
6-[5-[4,6-bis[1-(2-ethylpiperazin-1-yl)ethylamino]-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-bis[1-(2-ethylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 67709444

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C(CN1CCOCC1)Nc1nc(NCCN2CCOCC2)nc(C2CC3CC2CC3c2nc(NCCN3CCOCC3)nc(NCCN3CCOCC3)n2)n1.
What is the InChIKey of 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?
The InChIKey is ZVWBJPPPQCHSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H62N14O4/c1(5-48-9-17-52-18-10-48)38-34-42-32(43-35(46-34)39-2-6-49-11-19-53-20-12-49)30-26-29-25-28(30)27-31(29)33-44-36(40-3-7-50-13-21-54-22-14-50)47-37(45-33)41-4-8-51-15-23-55-24-16-51/h28-31H,1-27H2,(H2,38,39,42,43,46)(H2,40,41,44,45,47).
What are the key properties of 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?
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 has a molecular weight of 767.00 g/mol, XLogP of 0.33, 18 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54568944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).