4,6-二氨基嘧啶-5-甲醛
TL;DR: 4,6-二氨基嘧啶-5-甲醛 (CAS 109831-68-7) is a chemical compound with molecular formula C5H6N4O and molecular weight 138.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-二氨基嘧啶-5-甲醛
4,6-diaminopyrimidine-5-carbaldehyde
Also Known As: 4,6-diaminopyrimidine-5-carbaldehyde, Ibrutinib Impurity 53, NCIOpen2_001233, 5-Pyrimidinecarboxaldehyde, 4,6-diamino- (9CI), 4,6-diamino-pyrimidine-5-carbaldehyde
| Molecular Formula | C5H6N4O |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.05415 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 109831-68-7 |
|---|---|
| SMILES | C1=NC(=C(C(=N1)N)C=O)N |
| InChIKey | ACGOYQVBNIIMJN-UHFFFAOYSA-N |
Product Overview
4,6-二氨基嘧啶-5-甲醛 (CAS 109831-68-7), with molecular formula C5H6N4O and molecular weight 138.05 g/mol. IUPAC: 4,6-diaminopyrimidine-5-carbaldehyde.
Chemical Property Profile of 4,6-二氨基嘧啶-5-甲醛
Property Insights of 4,6-二氨基嘧啶-5-甲醛
The XLogP value of -0.5 indicates that 4,6-二氨基嘧啶-5-甲醛 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-二氨基嘧啶-5-甲醛. Following Lipinski's Rule of Five, 4,6-二氨基嘧啶-5-甲醛 has 2 hydrogen bond donor(s) and 5 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 4,6-二氨基嘧啶-5-甲醛?
The CAS number of 4,6-二氨基嘧啶-5-甲醛 is 109831-68-7.
What is the molecular formula of 4,6-二氨基嘧啶-5-甲醛?
The molecular formula of 4,6-二氨基嘧啶-5-甲醛 is C5H6N4O.
What is the molecular weight of 4,6-二氨基嘧啶-5-甲醛?
The molecular weight of 4,6-二氨基嘧啶-5-甲醛 is 138.05 g/mol.
Where can I buy 4,6-二氨基嘧啶-5-甲醛?
You can request a quote for 4,6-二氨基嘧啶-5-甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-二氨基嘧啶-5-甲醛?
Yes, KEHONG BIO provides custom synthesis services for 4,6-二氨基嘧啶-5-甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.