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

C19H24N8O — CID 11567086

IUPAC6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(CNc2nc(NCCN)nc(Nc3cccc(N)c3)n2)cc1
InChIInChI=1S/C19H24N8O/c1-28-16-7-5-13(6-8-16)12-23-18-25-17(22-10-9-20)26-19(27-18)24-15-4-2-3-14(21)11-15/h2-8,11H,9-10,12,20-21H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyLRZGRUHDZIJNCY-UHFFFAOYSA-N
MW380.46 g/mol
LogP2.19
Rot. Bonds9

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

6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 11567086) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is 6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID11567086
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(CNc2nc(NCCN)nc(Nc3cccc(N)c3)n2)cc1
InChIInChI=1S/C19H24N8O/c1-28-16-7-5-13(6-8-16)12-23-18-25-17(22-10-9-20)26-19(27-18)24-15-4-2-3-14(21)11-15/h2-8,11H,9-10,12,20-21H2,1H3,(H3,22,23,24,25,26,27)
InChIKeyLRZGRUHDZIJNCY-UHFFFAOYSA-N
XLogP2.19
TPSA136.03 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 11546096
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)-4-N-(3-aminophenyl)-2-N-cyclohepta-1,3,6-trien-1-yl-1,3,5-triazine-2,4,6-triamine;methanamine
CID 143193135
3-N-(4-methoxyphenyl)benzene-1,3-diamine
CID 22486418
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
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-[[4-[(4-methoxyphenyl)methylamino]-6-(pyridin-4-ylmethylamino)-1,3,5-triazin-2-yl]amino]benzamide
CID 23900827
4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 145028947
4-N-(3-methoxyphenyl)-6-methyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916560
2-N-cyclohexyl-6-N-[(4-methoxyphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 11014968
2-[[4-(3-aminoanilino)-6-[(2-fluorophenyl)methylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 11566868
N-[4-[[4-(aminomethyl)phenyl]methylamino]-6-[(3-methoxyphenyl)methylamino]-1,3,5-triazin-2-yl]hydroxylamine
CID 134108535

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 11567086) is 6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine is COc1ccc(CNc2nc(NCCN)nc(Nc3cccc(N)c3)n2)cc1.
What is the InChIKey of 6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LRZGRUHDZIJNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O/c1-28-16-7-5-13(6-8-16)12-23-18-25-17(22-10-9-20)26-19(27-18)24-15-4-2-3-14(21)11-15/h2-8,11H,9-10,12,20-21H2,1H3,(H3,22,23,24,25,26,27).
What are the key properties of 6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine?
6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 380.46 g/mol, XLogP of 2.19, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-aminoethyl)-2-N-(3-aminophenyl)-4-N-[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11567086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).