4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-
TL;DR: 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)- (CAS 17005-34-4) is a chemical compound with molecular formula C15H18N4O and molecular weight 270.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diamino-5-(4-phenylbutyl)pyrimidine-4-carbaldehyde
Also Known As: 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-, NCI60_001786, 2,6-diamino-5-(4-phenylbutyl)pyrimidine-4-carbaldehyde, 2,6-Diamino-5-(4-phenylbutyl)-4-pyrimidinecarboxaldehyde
| Molecular Formula | C15H18N4O |
|---|---|
| Molecular Weight | 270.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 270.14807 |
| Heavy Atoms | 20 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 17005-34-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)C=O |
| InChIKey | ZYSUCKDURHLPJA-UHFFFAOYSA-N |
Product Overview
4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)- (CAS 17005-34-4), with molecular formula C15H18N4O and molecular weight 270.15 g/mol. IUPAC: 2,6-diamino-5-(4-phenylbutyl)pyrimidine-4-carbaldehyde.
Chemical Property Profile of 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-
Property Insights of 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-. Following Lipinski's Rule of Five, 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)- 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-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-?
The CAS number of 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)- is 17005-34-4.
What is the molecular formula of 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-?
The molecular formula of 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)- is C15H18N4O.
What is the molecular weight of 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-?
The molecular weight of 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)- is 270.15 g/mol.
Where can I buy 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-?
You can request a quote for 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyrimidinecarboxaldehyde, 2,6-diamino-5-(4-phenylbutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.