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

C25H38N10 — CID 54212362

IUPAC6-[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
SMILESNc1nc(NC2CCCCC2)nc(C2CC3CC2CC3c2nc(N)nc(NC3CCCCC3)n2)n1
InChIInChI=1S/C25H38N10/c26-22-30-20(32-24(34-22)28-16-7-3-1-4-8-16)18-12-15-11-14(18)13-19(15)21-31-23(27)35-25(33-21)29-17-9-5-2-6-10-17/h14-19H,1-13H2,(H3,26,28,30,32,34)(H3,27,29,31,33,35)
InChIKeyPWUOTNSWGJDYLK-UHFFFAOYSA-N
MW478.65 g/mol
LogP4.01
Rot. Bonds6

About 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

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 (PubChem CID 54212362) has the molecular formula C25H38N10 and a molecular weight of 478.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID54212362
Molecular FormulaC25H38N10
Molecular Weight478.65 g/mol
Exact Mass478.33
IUPAC Name6-[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
SMILESNc1nc(NC2CCCCC2)nc(C2CC3CC2CC3c2nc(N)nc(NC3CCCCC3)n2)n1
InChIInChI=1S/C25H38N10/c26-22-30-20(32-24(34-22)28-16-7-3-1-4-8-16)18-12-15-11-14(18)13-19(15)21-31-23(27)35-25(33-21)29-17-9-5-2-6-10-17/h14-19H,1-13H2,(H3,26,28,30,32,34)(H3,27,29,31,33,35)
InChIKeyPWUOTNSWGJDYLK-UHFFFAOYSA-N
XLogP4.01
TPSA153.44 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.65
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 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-[2-[4-Amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-1,3,5-triazine-2,4-diamine
CID 18926682
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-[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
6-[3-[4,6-bis(cyclohexylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-dicyclohexyl-1,3,5-triazine-2,4-diamine
CID 54056830
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
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-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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1nc(NC2CCCCC2)nc(C2CC3CC2CC3c2nc(N)nc(NC3CCCCC3)n2)n1.
What is the InChIKey of 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?
The InChIKey is PWUOTNSWGJDYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N10/c26-22-30-20(32-24(34-22)28-16-7-3-1-4-8-16)18-12-15-11-14(18)13-19(15)21-31-23(27)35-25(33-21)29-17-9-5-2-6-10-17/h14-19H,1-13H2,(H3,26,28,30,32,34)(H3,27,29,31,33,35).
What are the key properties of 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?
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 has a molecular weight of 478.65 g/mol, XLogP of 4.01, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 54212362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).