6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

C37H55N15O3 — CID 137231328

IUPAC6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESC/N=C1/NC(N(C)CCc2ccco2)=NC(CN(CCc2ccco2)C2=NC(CCN(CCc3ccco3)C3=NC(C)N=C(N(C)C)N3)N=C(N(C)C)N2)N1
InChIInChI=1S/C37H55N15O3/c1-26-39-33(48(3)4)46-36(40-26)51(19-15-28-12-9-23-54-28)21-17-30-42-34(49(5)6)47-37(43-30)52(20-16-29-13-10-24-55-29)25-31-41-32(38-2)45-35(44-31)50(7)18-14-27-11-8-22-53-27/h8-13,22-24,26,30-31H,14-21,25H2,1-7H3,(H,39,40,46)(H,42,43,47)(H2,38,41,44,45)
InChIKeyDHJOZTNKSOWDCY-UHFFFAOYSA-N
MW757.95 g/mol
LogP1.71
Rot. Bonds14

About 6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine

6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 137231328) has the molecular formula C37H55N15O3 and a molecular weight of 757.95 g/mol. Its IUPAC name is 6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
PubChem CID137231328
Molecular FormulaC37H55N15O3
Molecular Weight757.95 g/mol
Exact Mass757.46
IUPAC Name6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
SMILESC/N=C1/NC(N(C)CCc2ccco2)=NC(CN(CCc2ccco2)C2=NC(CCN(CCc3ccco3)C3=NC(C)N=C(N(C)C)N3)N=C(N(C)C)N2)N1
InChIInChI=1S/C37H55N15O3/c1-26-39-33(48(3)4)46-36(40-26)51(19-15-28-12-9-23-54-28)21-17-30-42-34(49(5)6)47-37(43-30)52(20-16-29-13-10-24-55-29)25-31-41-32(38-2)45-35(44-31)50(7)18-14-27-11-8-22-53-27/h8-13,22-24,26,30-31H,14-21,25H2,1-7H3,(H,39,40,46)(H,42,43,47)(H2,38,41,44,45)
InChIKeyDHJOZTNKSOWDCY-UHFFFAOYSA-N
XLogP1.71
TPSA177.90 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.95
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The IUPAC name of 6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 137231328) is 6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine.
What is the SMILES notation for 6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The canonical SMILES for 6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is C/N=C1/NC(N(C)CCc2ccco2)=NC(CN(CCc2ccco2)C2=NC(CCN(CCc3ccco3)C3=NC(C)N=C(N(C)C)N3)N=C(N(C)C)N2)N1.
What is the InChIKey of 6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
The InChIKey is DHJOZTNKSOWDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H55N15O3/c1-26-39-33(48(3)4)46-36(40-26)51(19-15-28-12-9-23-54-28)21-17-30-42-34(49(5)6)47-37(43-30)52(20-16-29-13-10-24-55-29)25-31-41-32(38-2)45-35(44-31)50(7)18-14-27-11-8-22-53-27/h8-13,22-24,26,30-31H,14-21,25H2,1-7H3,(H,39,40,46)(H,42,43,47)(H2,38,41,44,45).
What are the key properties of 6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine?
6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 757.95 g/mol, XLogP of 1.71, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(dimethylamino)-6-[2-(furan-2-yl)ethyl-[[4-[2-(furan-2-yl)ethyl-methylamino]-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-4-yl]ethyl]-6-N-[2-(furan-2-yl)ethyl]-2-N,2-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 137231328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).