![4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester structure](/static/products/7008/700862-36-8.webp)
4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester
TL;DR: 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester (CAS 700862-36-8) is a chemical compound with molecular formula C17H18N8O2S and molecular weight 398.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate
Also Known As: 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester, ethyl 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate, ethyl 4-amino-2-({[4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)pyrimidine-5-carboxylate, ethyl 4-amino-2-(((4-amino-6-(phenylamino)-1,3,5-triazin-2-yl)methyl)thio)pyrimidine-5-carboxylate, ethyl 4-amino-2-({[(6Z)-4-amino-6-(phenylimino)-1,6-dihydro-1,3,5-triazin-2-yl]methyl}sulfanyl)pyrimidine-5-carboxylate
| Molecular Formula | C17H18N8O2S |
|---|---|
| Molecular Weight | 398.13 g/mol |
| LogP | 2.0386 |
| Topological Polar Surface Area | 154.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.12735 |
| Heavy Atoms | 28 |
| Complexity | 970.62616 |
Chemical Identifiers
| CAS Number | 700862-36-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N |
Product Overview
4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester (CAS 700862-36-8), with molecular formula C17H18N8O2S and molecular weight 398.13 g/mol. IUPAC: ethyl 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate.
Chemical Property Profile of 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester
Property Insights of 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester
The XLogP value of 2.0386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester. The TPSA of 154.82 Ų indicates high polarity, suggesting 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester?
The CAS number of 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester is 700862-36-8.
What is the molecular formula of 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester?
The molecular formula of 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester is C17H18N8O2S.
What is the molecular weight of 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester?
The molecular weight of 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester is 398.13 g/mol.
Where can I buy 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester?
You can request a quote for 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.