tert-Butyl 2-cyano-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

Base Information

• Chemical Name: tert-Butyl 2-cyano-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
• CAS No.: 365996-88-9
• Molecular Formula: C12H14N4O2
• Molecular Weight: 246.269
• DSSTox Substance ID: DTXSID401135282
• Mol file: 365996-88-9.mol

Synonyms:365996-88-9;tert-Butyl 2-cyano-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate;SCHEMBL740206;YRJMOLPRUOARMU-UHFFFAOYSA-N;DTXSID401135282;tert-butyl 2-cyano-5,7-dihydro-6h-pyrrolo[3,4-d]-pyrimidine-6-carboxylate;DB-221985;F51789;tert-Butyl2-cyano-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate;tert-butyl 2-cyano-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate;1,1-Dimethylethyl 2-cyano-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate;2-Cyano-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester

Chemical Property of tert-Butyl 2-cyano-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 246.11167570
• Heavy Atom Count: 18
• Complexity: 381

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CC2=CN=C(N=C2C1)C#N

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