2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine

C16H34N12O4Si2 — CID 59760634

IUPAC2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine
SMILESCO[Si](C)(CCCNc1nc(N)nc(N)n1)O[Si](CCCNc1nc(N)nc(N)n1)(OC)OC
InChIInChI=1S/C16H34N12O4Si2/c1-29-33(4,9-5-7-21-15-25-11(17)23-12(18)26-15)32-34(30-2,31-3)10-6-8-22-16-27-13(19)24-14(20)28-16/h5-10H2,1-4H3,(H5,17,18,21,23,25,26)(H5,19,20,22,24,27,28)
InChIKeyVLCRIFBWMKTJFY-UHFFFAOYSA-N
MW514.70 g/mol
LogP-0.34
Rot. Bonds15

About 2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine

2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 59760634) has the molecular formula C16H34N12O4Si2 and a molecular weight of 514.70 g/mol. Its IUPAC name is 2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID59760634
Molecular FormulaC16H34N12O4Si2
Molecular Weight514.70 g/mol
Exact Mass514.24
IUPAC Name2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine
SMILESCO[Si](C)(CCCNc1nc(N)nc(N)n1)O[Si](CCCNc1nc(N)nc(N)n1)(OC)OC
InChIInChI=1S/C16H34N12O4Si2/c1-29-33(4,9-5-7-21-15-25-11(17)23-12(18)26-15)32-34(30-2,31-3)10-6-8-22-16-27-13(19)24-14(20)28-16/h5-10H2,1-4H3,(H5,17,18,21,23,25,26)(H5,19,20,22,24,27,28)
InChIKeyVLCRIFBWMKTJFY-UHFFFAOYSA-N
XLogP-0.34
TPSA242.40 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500514.70
LogP ≤ 5-0.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine (CID 59760634) is 2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine is CO[Si](C)(CCCNc1nc(N)nc(N)n1)O[Si](CCCNc1nc(N)nc(N)n1)(OC)OC.
What is the InChIKey of 2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VLCRIFBWMKTJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N12O4Si2/c1-29-33(4,9-5-7-21-15-25-11(17)23-12(18)26-15)32-34(30-2,31-3)10-6-8-22-16-27-13(19)24-14(20)28-16/h5-10H2,1-4H3,(H5,17,18,21,23,25,26)(H5,19,20,22,24,27,28).
What are the key properties of 2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine?
2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 514.70 g/mol, XLogP of -0.34, 15 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59760634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).