![2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid structure](/static/products/714/714285-44-6.png)
2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid
TL;DR: 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid (CAS 714285-44-6) is a chemical compound with molecular formula C13H14N6O4 and molecular weight 318.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-6-(3-methylanilino)-5-nitropyrimidin-2-yl]amino]acetic acid
Also Known As: 2-({4-amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid, 2-((4-amino-5-nitro-6-(m-tolylamino)pyrimidin-2-yl)amino)acetic acid, 2-[[4-amino-6-(3-methylanilino)-5-nitropyrimidin-2-yl]amino]acetic acid, N-{4-amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}glycine, 2-[[4-amino-6-[(3-methylphenyl)amino]-5-nitro-pyrimidin-2-yl]amino]acetic Acid
| Molecular Formula | C13H14N6O4 |
|---|---|
| Molecular Weight | 318.11 g/mol |
| LogP | 1.51552 |
| Topological Polar Surface Area | 156.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.10767 |
| Heavy Atoms | 23 |
| Complexity | 764.1251 |
Chemical Identifiers
| CAS Number | 714285-44-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCC(=O)O |
Product Overview
2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid (CAS 714285-44-6), with molecular formula C13H14N6O4 and molecular weight 318.11 g/mol. IUPAC: 2-[[4-amino-6-(3-methylanilino)-5-nitropyrimidin-2-yl]amino]acetic acid.
Chemical Property Profile of 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid
Property Insights of 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid
The XLogP value of 1.51552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid. The TPSA of 156.3 Ų indicates high polarity, suggesting 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid has 4 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-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid?
The CAS number of 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid is 714285-44-6.
What is the molecular formula of 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid?
The molecular formula of 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid is C13H14N6O4.
What is the molecular weight of 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid?
The molecular weight of 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid is 318.11 g/mol.
Where can I buy 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid?
You can request a quote for 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({4-Amino-6-[(3-methylphenyl)amino]-5-nitropyrimidin-2-yl}amino)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.