N-triethylsilyl-N-triphenylsilylpteridin-6-amine

C30H33N5Si2 — CID 140624612

IUPACN-triethylsilyl-N-triphenylsilylpteridin-6-amine
SMILESCC[Si](CC)(CC)N(c1cnc2ncncc2n1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33N5Si2/c1-4-36(5-2,6-3)35(29-23-32-30-28(34-29)22-31-24-33-30)37(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-24H,4-6H2,1-3H3
InChIKeyONRXUHCWJPMSJM-UHFFFAOYSA-N
MW519.80 g/mol
LogP4.90
Rot. Bonds9

About N-triethylsilyl-N-triphenylsilylpteridin-6-amine

N-triethylsilyl-N-triphenylsilylpteridin-6-amine (PubChem CID 140624612) has the molecular formula C30H33N5Si2 and a molecular weight of 519.80 g/mol. Its IUPAC name is N-triethylsilyl-N-triphenylsilylpteridin-6-amine.

Molecular Properties

Compound NameN-triethylsilyl-N-triphenylsilylpteridin-6-amine
PubChem CID140624612
Molecular FormulaC30H33N5Si2
Molecular Weight519.80 g/mol
Exact Mass519.23
IUPAC NameN-triethylsilyl-N-triphenylsilylpteridin-6-amine
SMILESCC[Si](CC)(CC)N(c1cnc2ncncc2n1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33N5Si2/c1-4-36(5-2,6-3)35(29-23-32-30-28(34-29)22-31-24-33-30)37(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-24H,4-6H2,1-3H3
InChIKeyONRXUHCWJPMSJM-UHFFFAOYSA-N
XLogP4.90
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.80
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-triethylsilyl-N-triphenylsilylpteridin-6-amine?
The IUPAC name of N-triethylsilyl-N-triphenylsilylpteridin-6-amine (CID 140624612) is N-triethylsilyl-N-triphenylsilylpteridin-6-amine.
What is the SMILES notation for N-triethylsilyl-N-triphenylsilylpteridin-6-amine?
The canonical SMILES for N-triethylsilyl-N-triphenylsilylpteridin-6-amine is CC[Si](CC)(CC)N(c1cnc2ncncc2n1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-triethylsilyl-N-triphenylsilylpteridin-6-amine?
The InChIKey is ONRXUHCWJPMSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5Si2/c1-4-36(5-2,6-3)35(29-23-32-30-28(34-29)22-31-24-33-30)37(25-16-10-7-11-17-25,26-18-12-8-13-19-26)27-20-14-9-15-21-27/h7-24H,4-6H2,1-3H3.
What are the key properties of N-triethylsilyl-N-triphenylsilylpteridin-6-amine?
N-triethylsilyl-N-triphenylsilylpteridin-6-amine has a molecular weight of 519.80 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-triethylsilyl-N-triphenylsilylpteridin-6-amine is sourced from PubChem (CID 140624612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).