methyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

Base Information

• Chemical Name: methyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
• CAS No.: 126149-77-7
• Molecular Formula: C8H8N4O2
• Molecular Weight: 192.17500
• Hs Code.: 2933990090
• ChEMBL ID: CHEMBL484034
• DSSTox Substance ID: DTXSID10575976
• Wikidata: Q72487436
• Mol file: 126149-77-7.mol

Synonyms:126149-77-7;methyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;4-AMINO-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER;1H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacid,4-amino-,methylester(9CI);CHEMBL484034;DTXSID10575976;methyl4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate;WSC90715;5-(methoxycarbonyl)tubercidin aglycone;AKOS015851453;SB14125;AS-50878;P11320;A805514

Chemical Property of methyl 4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

Chemical Property:

• Refractive Index: 1.719
• Boiling Point: 322.1±52.0 °C(Predicted)
• PKA: 11.67±0.20(Predicted)
• PSA: 93.89000
• Density: 1.495 g/cm³
• LogP: 0.90790
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 192.06472551
• Heavy Atom Count: 14
• Complexity: 235

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-7H-Pyrrolo[2,3-d]pyrimidine-5-carboxylicacidmethylester 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CNC2=NC=NC(=C12)N