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CAS Number: 2227-98-7
5H-pyrrolo[3,2-d]pyrimidin-4-amine

Structure

5H-pyrrolo[3,2-d]pyrimidin-4-amine
Name: 5H-pyrrolo[3,2-d]pyrimidin-4-amine
Synonyms:
General Information
Product Number: 2227987

CAS Registry Number 2227-98-7
Name:
5H-​Pyrrolo[3,​2-​d]​pyrimidin-​4-​amine
5H-Pyrrolo[3,2-d]pyrimidine, 4-amino- (7CI,8CI)
9-Deazaadenine

 

Chemical Formula: C6H6N4
Exact Mass: 134.06
Molecular Weight: 134.14
m/z: 134.06 (100.0%), 135.06 (8.0%)

 

InChI:InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10)

InChI Key:YRVFQPBPZCRUDX-UHFFFAOYSA-N

Canonical SMILES:C1=CNC2=C1N=CN=C2N

 

Thermal Properties Value Condition Note
Melting Point 235-237 °C   (4)CAS
Melting Point 226-228 °C   (1)CAS

Specification

98%

References
  1. (1) Haraguchi, Kazuhiro; Journal of Organic Chemistry 2011, V76(21), P8658-8669 CAPLUS
  2. (4) Borrmann, Thomas; Journal of Medicinal Chemistry 2009, V52(19), P5974-5989 CAPLUS
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