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

C41H70N14 — CID 57067603

IUPAC6-[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
SMILESC1CCN(CCNc2nc(NCCN3CCCCC3)nc(C3CC4CC3CC4c3nc(NCCN4CCCCC4)nc(NCCN4CCCCC4)n3)n2)CC1
InChIInChI=1S/C41H70N14/c1-5-17-52(18-6-1)25-13-42-38-46-36(47-39(50-38)43-14-26-53-19-7-2-8-20-53)34-30-33-29-32(34)31-35(33)37-48-40(44-15-27-54-21-9-3-10-22-54)51-41(49-37)45-16-28-55-23-11-4-12-24-55/h32-35H,1-31H2,(H2,42,43,46,47,50)(H2,44,45,48,49,51)
InChIKeyRYYXPDLZBUUXLN-UHFFFAOYSA-N
MW759.11 g/mol
LogP4.95
Rot. Bonds18

About 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

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 (PubChem CID 57067603) has the molecular formula C41H70N14 and a molecular weight of 759.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID57067603
Molecular FormulaC41H70N14
Molecular Weight759.11 g/mol
Exact Mass758.59
IUPAC Name6-[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
SMILESC1CCN(CCNc2nc(NCCN3CCCCC3)nc(C3CC4CC3CC4c3nc(NCCN4CCCCC4)nc(NCCN4CCCCC4)n3)n2)CC1
InChIInChI=1S/C41H70N14/c1-5-17-52(18-6-1)25-13-42-38-46-36(47-39(50-38)43-14-26-53-19-7-2-8-20-53)34-30-33-29-32(34)31-35(33)37-48-40(44-15-27-54-21-9-3-10-22-54)51-41(49-37)45-16-28-55-23-11-4-12-24-55/h32-35H,1-31H2,(H2,42,43,46,47,50)(H2,44,45,48,49,51)
InChIKeyRYYXPDLZBUUXLN-UHFFFAOYSA-N
XLogP4.95
TPSA138.42 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.11
LogP ≤ 54.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 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 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

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-[5-[4-Amino-6-(octylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazine-2,4-diamine
CID 18926685
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-[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-[4,6-bis(octylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-dioctyl-1,3,5-triazine-2,4-diamine
CID 54147887
6-[5-[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 54212362
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
2-N,4-N-bis(2-aminoethyl)-6-[6-[4,6-bis(2-aminoethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazine-2,4-diamine
CID 54218088
6-[5-[4-Amino-6-(2-piperazin-1-ylethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazine-2,4-diamine
CID 54561983
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CCN(CCNc2nc(NCCN3CCCCC3)nc(C3CC4CC3CC4c3nc(NCCN4CCCCC4)nc(NCCN4CCCCC4)n3)n2)CC1.
What is the InChIKey of 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?
The InChIKey is RYYXPDLZBUUXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H70N14/c1-5-17-52(18-6-1)25-13-42-38-46-36(47-39(50-38)43-14-26-53-19-7-2-8-20-53)34-30-33-29-32(34)31-35(33)37-48-40(44-15-27-54-21-9-3-10-22-54)51-41(49-37)45-16-28-55-23-11-4-12-24-55/h32-35H,1-31H2,(H2,42,43,46,47,50)(H2,44,45,48,49,51).
What are the key properties of 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?
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 has a molecular weight of 759.11 g/mol, XLogP of 4.95, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 57067603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).