2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine

C22H23N9 — CID 11546096

IUPAC2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESNc1ccc(CNc2nc(Nc3cccc(N)c3)nc(Nc3cccc(N)c3)n2)cc1
InChIInChI=1S/C22H23N9/c23-15-9-7-14(8-10-15)13-26-20-29-21(27-18-5-1-3-16(24)11-18)31-22(30-20)28-19-6-2-4-17(25)12-19/h1-12H,13,23-25H2,(H3,26,27,28,29,30,31)
InChIKeyXJGCCLVZJYCUKK-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.72
Rot. Bonds7

About 2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 11546096) has the molecular formula C22H23N9 and a molecular weight of 413.49 g/mol. Its IUPAC name is 2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID11546096
Molecular FormulaC22H23N9
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESNc1ccc(CNc2nc(Nc3cccc(N)c3)nc(Nc3cccc(N)c3)n2)cc1
InChIInChI=1S/C22H23N9/c23-15-9-7-14(8-10-15)13-26-20-29-21(27-18-5-1-3-16(24)11-18)31-22(30-20)28-19-6-2-4-17(25)12-19/h1-12H,13,23-25H2,(H3,26,27,28,29,30,31)
InChIKeyXJGCCLVZJYCUKK-UHFFFAOYSA-N
XLogP3.72
TPSA152.82 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.49
LogP ≤ 53.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

2-N-(3-aminophenyl)-4-N,6-N-dibenzyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 91094549
2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 11683342
6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 11567086
2-[[4-(3-aminoanilino)-6-[2-[4-[[4,6-bis(3-aminoanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 45486433
4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine
CID 90388861
2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 11566868
4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 118574790
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine
CID 20542479
2-[[4-(3-aminoanilino)-6-[2-[4-[[4-(3-aminoanilino)-6-[2-(dimethylamino)ethylamino]-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 45486434
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine;hydrochloride
CID 70546095
2-[[4-(3-aminoanilino)-6-[4-[2-[[4-(3-aminoanilino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethyl]anilino]-1,3,5-triazin-2-yl]amino]-1-(3-aminophenyl)ethanol
CID 45486428
6-N-[(4-fluorophenyl)methyl]-2-N-[3-(trifluoromethyl)phenyl]-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 58040119

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 11546096) is 2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine is Nc1ccc(CNc2nc(Nc3cccc(N)c3)nc(Nc3cccc(N)c3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XJGCCLVZJYCUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N9/c23-15-9-7-14(8-10-15)13-26-20-29-21(27-18-5-1-3-16(24)11-18)31-22(30-20)28-19-6-2-4-17(25)12-19/h1-12H,13,23-25H2,(H3,26,27,28,29,30,31).
What are the key properties of 2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 413.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11546096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).