4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine

C53H92N12O13Si2 — CID 89343458

IUPAC4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCN(COC)c1nc(N(COCC=C)COCC=C)nc(N(COCC=C)COCCC[Si](C)(C)O[Si](C)(C)CCOCN(COCC=C)c2nc(N(COC)COCC=C)nc(N(COCC=C)COCC=C)n2)n1
InChIInChI=1S/C53H92N12O13Si2/c1-15-24-68-38-60(36-66-9)48-54-50(62(40-70-26-17-3)41-71-27-18-4)58-52(56-48)64(44-74-30-21-7)46-76-32-23-34-79(11,12)78-80(13,14)35-33-77-47-65(45-75-31-22-8)53-57-49(61(37-67-10)39-69-25-16-2)55-51(59-53)63(42-72-28-19-5)43-73-29-20-6/h15-22H,1-8,23-47H2,9-14H3
InChIKeyWCWSWQKAFFZFQO-UHFFFAOYSA-N
MW1161.56 g/mol
LogP6.85
Rot. Bonds55

About 4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine

4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 89343458) has the molecular formula C53H92N12O13Si2 and a molecular weight of 1161.56 g/mol. Its IUPAC name is 4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID89343458
Molecular FormulaC53H92N12O13Si2
Molecular Weight1161.56 g/mol
Exact Mass1160.64
IUPAC Name4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCOCN(COC)c1nc(N(COCC=C)COCC=C)nc(N(COCC=C)COCCC[Si](C)(C)O[Si](C)(C)CCOCN(COCC=C)c2nc(N(COC)COCC=C)nc(N(COCC=C)COCC=C)n2)n1
InChIInChI=1S/C53H92N12O13Si2/c1-15-24-68-38-60(36-66-9)48-54-50(62(40-70-26-17-3)41-71-27-18-4)58-52(56-48)64(44-74-30-21-7)46-76-32-23-34-79(11,12)78-80(13,14)35-33-77-47-65(45-75-31-22-8)53-57-49(61(37-67-10)39-69-25-16-2)55-51(59-53)63(42-72-28-19-5)43-73-29-20-6/h15-22H,1-8,23-47H2,9-14H3
InChIKeyWCWSWQKAFFZFQO-UHFFFAOYSA-N
XLogP6.85
TPSA216.77 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds55
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001161.56
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 89343458) is 4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is C=CCOCN(COC)c1nc(N(COCC=C)COCC=C)nc(N(COCC=C)COCCC[Si](C)(C)O[Si](C)(C)CCOCN(COCC=C)c2nc(N(COC)COCC=C)nc(N(COCC=C)COCC=C)n2)n1.
What is the InChIKey of 4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WCWSWQKAFFZFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H92N12O13Si2/c1-15-24-68-38-60(36-66-9)48-54-50(62(40-70-26-17-3)41-71-27-18-4)58-52(56-48)64(44-74-30-21-7)46-76-32-23-34-79(11,12)78-80(13,14)35-33-77-47-65(45-75-31-22-8)53-57-49(61(37-67-10)39-69-25-16-2)55-51(59-53)63(42-72-28-19-5)43-73-29-20-6/h15-22H,1-8,23-47H2,9-14H3.
What are the key properties of 4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine?
4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1161.56 g/mol, XLogP of 6.85, 55 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[[2-[[[4-[bis(prop-2-enoxymethyl)amino]-6-[methoxymethyl(prop-2-enoxymethyl)amino]-1,3,5-triazin-2-yl]-(prop-2-enoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(prop-2-enoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 89343458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).