4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide

C26H26N8O — CID 22478847

IUPAC4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide
SMILESNc1nc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)nc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C26H26N8O/c27-21-7-3-4-8-22(21)31-23(35)17-11-9-16(10-12-17)15-29-25-32-24(28)33-26(34-25)30-20-13-18-5-1-2-6-19(18)14-20/h1-12,20H,13-15,27H2,(H,31,35)(H4,28,29,30,32,33,34)
InChIKeyWEGZAQQQNAZHTD-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.48
Rot. Bonds7

About 4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide

4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide (PubChem CID 22478847) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is 4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide.

Molecular Properties

Compound Name4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide
PubChem CID22478847
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide
SMILESNc1nc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)nc(NC2Cc3ccccc3C2)n1
InChIInChI=1S/C26H26N8O/c27-21-7-3-4-8-22(21)31-23(35)17-11-9-16(10-12-17)15-29-25-32-24(28)33-26(34-25)30-20-13-18-5-1-2-6-19(18)14-20/h1-12,20H,13-15,27H2,(H,31,35)(H4,28,29,30,32,33,34)
InChIKeyWEGZAQQQNAZHTD-UHFFFAOYSA-N
XLogP3.48
TPSA143.87 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-[[[4-[2-(3-chlorophenyl)ethylamino]-6-(cyclopropylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide
CID 20786062
methyl 4-[[[4-chloro-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]benzoate
CID 22478849
N-(2-aminophenyl)-4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]benzamide
CID 22478674
N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
CID 22478639
N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide
CID 68977988
N-(2-aminophenyl)-4-[[(4-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]benzamide
CID 175008360
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-(2-aminophenyl)-4-[[(4,6-dimethyl-1,3,5-triazin-2-yl)amino]methyl]benzamide;2-chloro-4,6-dimethyl-1,3,5-triazine;4,6-dimethyl-N-[(4-methylphenyl)methyl]-1,3,5-triazin-2-amine;(4-methylphenyl)methanamine;hydrochloride
CID 158664905
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-aminophenyl)-4-[[[4-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]methyl]benzamide;6-chloro-2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[(4-methylphenyl)methyl]-4-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 158055294
N-(2-aminophenyl)-4-[[[4-chloro-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]amino]methyl]benzamide
CID 20786083
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3,4-dihydronaphthalene-2-carboxamide
CID 90131501

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide?
The IUPAC name of 4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide (CID 22478847) is 4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide.
What is the SMILES notation for 4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide?
The canonical SMILES for 4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide is Nc1nc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)nc(NC2Cc3ccccc3C2)n1.
What is the InChIKey of 4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide?
The InChIKey is WEGZAQQQNAZHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c27-21-7-3-4-8-22(21)31-23(35)17-11-9-16(10-12-17)15-29-25-32-24(28)33-26(34-25)30-20-13-18-5-1-2-6-19(18)14-20/h1-12,20H,13-15,27H2,(H,31,35)(H4,28,29,30,32,33,34).
What are the key properties of 4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide?
4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide has a molecular weight of 466.55 g/mol, XLogP of 3.48, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)-1,3,5-triazin-2-yl]amino]methyl]-N-(2-aminophenyl)benzamide is sourced from PubChem (CID 22478847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).