2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine

C29H30N6O — CID 134108209

IUPAC2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCOc1cccc(CNc2nc(Nc3ccc4c(c3)CCC4)nc(NC3Cc4ccccc4C3)n2)c1
InChIInChI=1S/C29H30N6O/c1-36-26-11-4-6-19(14-26)18-30-27-33-28(31-24-13-12-20-9-5-10-21(20)15-24)35-29(34-27)32-25-16-22-7-2-3-8-23(22)17-25/h2-4,6-8,11-15,25H,5,9-10,16-18H2,1H3,(H3,30,31,32,33,34,35)
InChIKeyGWFNHUAIRYQZQO-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.30
Rot. Bonds8

About 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 134108209) has the molecular formula C29H30N6O and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID134108209
Molecular FormulaC29H30N6O
Molecular Weight478.60 g/mol
Exact Mass478.25
IUPAC Name2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCOc1cccc(CNc2nc(Nc3ccc4c(c3)CCC4)nc(NC3Cc4ccccc4C3)n2)c1
InChIInChI=1S/C29H30N6O/c1-36-26-11-4-6-19(14-26)18-30-27-33-28(31-24-13-12-20-9-5-10-21(20)15-24)35-29(34-27)32-25-16-22-7-2-3-8-23(22)17-25/h2-4,6-8,11-15,25H,5,9-10,16-18H2,1H3,(H3,30,31,32,33,34,35)
InChIKeyGWFNHUAIRYQZQO-UHFFFAOYSA-N
XLogP5.30
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine 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 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 134108209) is 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine is COc1cccc(CNc2nc(Nc3ccc4c(c3)CCC4)nc(NC3Cc4ccccc4C3)n2)c1.
What is the InChIKey of 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GWFNHUAIRYQZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O/c1-36-26-11-4-6-19(14-26)18-30-27-33-28(31-24-13-12-20-9-5-10-21(20)15-24)35-29(34-27)32-25-16-22-7-2-3-8-23(22)17-25/h2-4,6-8,11-15,25H,5,9-10,16-18H2,1H3,(H3,30,31,32,33,34,35).
What are the key properties of 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 478.60 g/mol, XLogP of 5.30, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1H-inden-2-yl)-4-N-(2,3-dihydro-1H-inden-5-yl)-6-N-[(3-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 134108209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).