methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate

C22H30N6O4Si — CID 58285257

IUPACmethyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nc(N3CCOCC3)nc3c2ncn3COCC[Si](C)(C)C)cn1
InChIInChI=1S/C22H30N6O4Si/c1-30-21(29)17-6-5-16(13-23-17)18-19-20(26-22(25-18)27-7-9-31-10-8-27)28(14-24-19)15-32-11-12-33(2,3)4/h5-6,13-14H,7-12,15H2,1-4H3
InChIKeyVEXJBHPAFYRVQR-UHFFFAOYSA-N
MW470.61 g/mol
LogP2.82
Rot. Bonds8

About methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate

methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate (PubChem CID 58285257) has the molecular formula C22H30N6O4Si and a molecular weight of 470.61 g/mol. Its IUPAC name is methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate
PubChem CID58285257
Molecular FormulaC22H30N6O4Si
Molecular Weight470.61 g/mol
Exact Mass470.21
IUPAC Namemethyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nc(N3CCOCC3)nc3c2ncn3COCC[Si](C)(C)C)cn1
InChIInChI=1S/C22H30N6O4Si/c1-30-21(29)17-6-5-16(13-23-17)18-19-20(26-22(25-18)27-7-9-31-10-8-27)28(14-24-19)15-32-11-12-33(2,3)4/h5-6,13-14H,7-12,15H2,1-4H3
InChIKeyVEXJBHPAFYRVQR-UHFFFAOYSA-N
XLogP2.82
TPSA104.49 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate (CID 58285257) is methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate is COC(=O)c1ccc(-c2nc(N3CCOCC3)nc3c2ncn3COCC[Si](C)(C)C)cn1.
What is the InChIKey of methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate?
The InChIKey is VEXJBHPAFYRVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4Si/c1-30-21(29)17-6-5-16(13-23-17)18-19-20(26-22(25-18)27-7-9-31-10-8-27)28(14-24-19)15-32-11-12-33(2,3)4/h5-6,13-14H,7-12,15H2,1-4H3.
What are the key properties of methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate?
methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate has a molecular weight of 470.61 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-morpholin-4-yl-9-(2-trimethylsilylethoxymethyl)purin-6-yl]pyridine-2-carboxylate is sourced from PubChem (CID 58285257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).