N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine

C30H57N5Si2 — CID 140624817

IUPACN,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)N(c1cnc2cncnc2n1)[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C30H57N5Si2/c1-22(2)15-36(16-23(3)4,17-24(5)6)35(29-14-32-28-13-31-21-33-30(28)34-29)37(18-25(7)8,19-26(9)10)20-27(11)12/h13-14,21-27H,15-20H2,1-12H3
InChIKeyJDLWKADOSXWRIN-UHFFFAOYSA-N
MW543.99 g/mol
LogP9.05
Rot. Bonds15

About N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine

N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine (PubChem CID 140624817) has the molecular formula C30H57N5Si2 and a molecular weight of 543.99 g/mol. Its IUPAC name is N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine.

Molecular Properties

Compound NameN,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine
PubChem CID140624817
Molecular FormulaC30H57N5Si2
Molecular Weight543.99 g/mol
Exact Mass543.42
IUPAC NameN,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine
SMILESCC(C)C[Si](CC(C)C)(CC(C)C)N(c1cnc2cncnc2n1)[Si](CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C30H57N5Si2/c1-22(2)15-36(16-23(3)4,17-24(5)6)35(29-14-32-28-13-31-21-33-30(28)34-29)37(18-25(7)8,19-26(9)10)20-27(11)12/h13-14,21-27H,15-20H2,1-12H3
InChIKeyJDLWKADOSXWRIN-UHFFFAOYSA-N
XLogP9.05
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.99
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-triethylsilyl-N-trimethylsilylpteridin-7-amine
CID 140624283
N-triethylsilyl-N-triphenylsilylpteridin-7-amine
CID 140624786
N-ethyl-N-triphenylsilylpteridin-7-amine
CID 140624754
N,N-diethylpteridin-6-amine
CID 140624646
N-triethylsilyl-N-triphenylsilylpteridin-6-amine
CID 140624612
6-propan-2-ylpteridine
CID 59283430
N-ethyl-N-trimethylsilylpteridin-6-amine
CID 140624706
2-pteridin-7-ylacetonitrile
CID 68740704
pteridine-6,7-diamine
CID 119097307
6-(2,2-dimethylpropyl)pteridine
CID 118285087
formaldehyde;bis(pteridine)
CID 174932722
2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine
CID 58470040

Frequently Asked Questions

What is the IUPAC name of N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine?
The IUPAC name of N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine (CID 140624817) is N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine.
What is the SMILES notation for N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine?
The canonical SMILES for N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine is CC(C)C[Si](CC(C)C)(CC(C)C)N(c1cnc2cncnc2n1)[Si](CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine?
The InChIKey is JDLWKADOSXWRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57N5Si2/c1-22(2)15-36(16-23(3)4,17-24(5)6)35(29-14-32-28-13-31-21-33-30(28)34-29)37(18-25(7)8,19-26(9)10)20-27(11)12/h13-14,21-27H,15-20H2,1-12H3.
What are the key properties of N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine?
N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine has a molecular weight of 543.99 g/mol, XLogP of 9.05, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[tris(2-methylpropyl)silyl]pteridin-7-amine is sourced from PubChem (CID 140624817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).