6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine

C45H82N10 — CID 57324353

IUPAC6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(C2CC3CC2CC3c2nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n2)nc(N(CCCC)CCCC)n1
InChIInChI=1S/C45H82N10/c1-9-17-25-52(26-18-10-2)42-46-40(47-43(50-42)53(27-19-11-3)28-20-12-4)38-34-37-33-36(38)35-39(37)41-48-44(54(29-21-13-5)30-22-14-6)51-45(49-41)55(31-23-15-7)32-24-16-8/h36-39H,9-35H2,1-8H3
InChIKeyOZCZFEQTNSJJJH-UHFFFAOYSA-N
MW763.22 g/mol
LogP10.98
Rot. Bonds30

About 6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine

6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine (PubChem CID 57324353) has the molecular formula C45H82N10 and a molecular weight of 763.22 g/mol. Its IUPAC name is 6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine
PubChem CID57324353
Molecular FormulaC45H82N10
Molecular Weight763.22 g/mol
Exact Mass762.67
IUPAC Name6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(CCCC)c1nc(C2CC3CC2CC3c2nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n2)nc(N(CCCC)CCCC)n1
InChIInChI=1S/C45H82N10/c1-9-17-25-52(26-18-10-2)42-46-40(47-43(50-42)53(27-19-11-3)28-20-12-4)38-34-37-33-36(38)35-39(37)41-48-44(54(29-21-13-5)30-22-14-6)51-45(49-41)55(31-23-15-7)32-24-16-8/h36-39H,9-35H2,1-8H3
InChIKeyOZCZFEQTNSJJJH-UHFFFAOYSA-N
XLogP10.98
TPSA90.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds30
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.22
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-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

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine (CID 57324353) is 6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine is CCCCN(CCCC)c1nc(C2CC3CC2CC3c2nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n2)nc(N(CCCC)CCCC)n1.
What is the InChIKey of 6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OZCZFEQTNSJJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H82N10/c1-9-17-25-52(26-18-10-2)42-46-40(47-43(50-42)53(27-19-11-3)28-20-12-4)38-34-37-33-36(38)35-39(37)41-48-44(54(29-21-13-5)30-22-14-6)51-45(49-41)55(31-23-15-7)32-24-16-8/h36-39H,9-35H2,1-8H3.
What are the key properties of 6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine?
6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine has a molecular weight of 763.22 g/mol, XLogP of 10.98, 30 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-2-bicyclo[2.2.1]heptanyl]-2-N,2-N,4-N,4-N-tetrabutyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 57324353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).