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

C21H38N14 — CID 54218088

IUPAC2-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
SMILESNCCNc1nc(NCCN)nc(C2CC3CC(c4nc(NCCN)nc(NCCN)n4)C2C3)n1
InChIInChI=1S/C21H38N14/c22-1-5-26-18-30-16(31-19(34-18)27-6-2-23)14-10-12-9-13(14)15(11-12)17-32-20(28-7-3-24)35-21(33-17)29-8-4-25/h12-15H,1-11,22-25H2,(H2,26,27,30,31,34)(H2,28,29,32,33,35)
InChIKeyQAPHNBZTCSGPME-UHFFFAOYSA-N
MW486.63 g/mol
LogP-1.16
Rot. Bonds14

About 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

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 (PubChem CID 54218088) has the molecular formula C21H38N14 and a molecular weight of 486.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID54218088
Molecular FormulaC21H38N14
Molecular Weight486.63 g/mol
Exact Mass486.34
IUPAC Name2-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
SMILESNCCNc1nc(NCCN)nc(C2CC3CC(c4nc(NCCN)nc(NCCN)n4)C2C3)n1
InChIInChI=1S/C21H38N14/c22-1-5-26-18-30-16(31-19(34-18)27-6-2-23)14-10-12-9-13(14)15(11-12)17-32-20(28-7-3-24)35-21(33-17)29-8-4-25/h12-15H,1-11,22-25H2,(H2,26,27,30,31,34)(H2,28,29,32,33,35)
InChIKeyQAPHNBZTCSGPME-UHFFFAOYSA-N
XLogP-1.16
TPSA229.54 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500486.63
LogP ≤ 5-1.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 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 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

6-[5-(4,6-Diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazine-2,4-diamine
CID 15346036
6-[6-(4,6-Diamino-1,3,5-triazin-2-yl)-2-bicyclo[2.2.1]heptanyl]-1,3,5-triazine-2,4-diamine
CID 15346037
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-[5-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 53686619
2-[[4-[6-[4-Amino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 53895010
3-[[4-[5-[4,6-Bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 53909215
2-[[4-[5-[4,6-Bis(2-hydroxyethylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 53933000
6-[6-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine
CID 54080820
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
3-[[4-[6-[4,6-Bis(3-hydroxypropylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-6-(3-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 54203081

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NCCNc1nc(NCCN)nc(C2CC3CC(c4nc(NCCN)nc(NCCN)n4)C2C3)n1.
What is the InChIKey of 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?
The InChIKey is QAPHNBZTCSGPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N14/c22-1-5-26-18-30-16(31-19(34-18)27-6-2-23)14-10-12-9-13(14)15(11-12)17-32-20(28-7-3-24)35-21(33-17)29-8-4-25/h12-15H,1-11,22-25H2,(H2,26,27,30,31,34)(H2,28,29,32,33,35).
What are the key properties of 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?
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 has a molecular weight of 486.63 g/mol, XLogP of -1.16, 14 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54218088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).