Pyrrolopyrimidine
TL;DR: Pyrrolopyrimidine (CAS 72-50-4) is a chemical compound with molecular formula C6H5N3 and molecular weight 119.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5H-pyrrolo[3,2-d]pyrimidine
Also Known As: 5H-pyrrolo[3,2-d]pyrimidine, 1,4,6-Triazaindene, pyrrolopyrimidine, 1H-Pyrrolo[3,2-d]pyrimidine, 1,4,6-Triaza-inden
| Molecular Formula | C6H5N3 |
|---|---|
| Molecular Weight | 119.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 119.04835 |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 72-50-4 |
|---|---|
| SMILES | C1=CNC2=CN=CN=C21 |
| InChIKey | KDOPAZIWBAHVJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrrolopyrimidine (CAS 72-50-4), with molecular formula C6H5N3 and molecular weight 119.05 g/mol. IUPAC: 5H-pyrrolo[3,2-d]pyrimidine.
Chemical Property Profile of Pyrrolopyrimidine
Property Insights of Pyrrolopyrimidine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolopyrimidine. With a topological polar surface area (TPSA) of 41.6 Ų, Pyrrolopyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolopyrimidine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyrrolopyrimidine?
The CAS number of Pyrrolopyrimidine is 72-50-4.
What is the molecular formula of Pyrrolopyrimidine?
The molecular formula of Pyrrolopyrimidine is C6H5N3.
What is the molecular weight of Pyrrolopyrimidine?
The molecular weight of Pyrrolopyrimidine is 119.05 g/mol.
Where can I buy Pyrrolopyrimidine?
You can request a quote for Pyrrolopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.