![2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine structure](/static/products/3159/31599-68-5.webp)
2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine
TL;DR: 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine (CAS 31599-68-5) is a chemical compound with molecular formula C13H17N5O3 and molecular weight 291.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,5-triamine
Also Known As: 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine, n4-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,5-triamine, 4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,5-triamine, 2-Imino-4-[(3,4,5-trimethoxyphenyl)imino]-1,2,3,4-tetrahydropyrimidin-5-amine
| Molecular Formula | C13H17N5O3 |
|---|---|
| Molecular Weight | 291.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.13315 |
| Heavy Atoms | 21 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 31599-68-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC2=NC(=NC=C2N)N |
| InChIKey | YZSAEBHIQXOREG-UHFFFAOYSA-N |
Product Overview
2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine (CAS 31599-68-5), with molecular formula C13H17N5O3 and molecular weight 291.13 g/mol. IUPAC: 4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4,5-triamine.
Chemical Property Profile of 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine
Property Insights of 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine. Following Lipinski's Rule of Five, 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine has 3 hydrogen bond donor(s) and 8 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 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine?
The CAS number of 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine is 31599-68-5.
What is the molecular formula of 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine?
The molecular formula of 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine is C13H17N5O3.
What is the molecular weight of 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine?
The molecular weight of 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine is 291.13 g/mol.
Where can I buy 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine?
You can request a quote for 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diamino-4-[3,4,5-trimethoxyanilino]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.