6-(3,5-Dimethylanilino)-2,4-pyrimidinediol
TL;DR: 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol (CAS 72255-71-1) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,5-dimethylanilino)-1H-pyrimidine-2,4-dione
Also Known As: 6-(3,5-dimethylphenylamino)uracil, NCI60_027571, 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol, 6-(3,5-dimethylanilino)pyrimidine-2,4-diol, 6-(3,5-dimethylanilino)-1H-pyrimidine-2,4-dione
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 72255-71-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC2=CC(=O)NC(=O)N2)C |
| InChIKey | SAERFYPCWUUCPT-UHFFFAOYSA-N |
Product Overview
6-(3,5-Dimethylanilino)-2,4-pyrimidinediol (CAS 72255-71-1), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: 6-(3,5-dimethylanilino)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol
Property Insights of 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol. Following Lipinski's Rule of Five, 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol has 3 hydrogen bond donor(s) and 3 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 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol?
The CAS number of 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol is 72255-71-1.
What is the molecular formula of 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol?
The molecular formula of 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol is C12H13N3O2.
What is the molecular weight of 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol?
The molecular weight of 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol is 231.10 g/mol.
Where can I buy 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol?
You can request a quote for 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol?
Yes, KEHONG BIO provides custom synthesis services for 6-(3,5-Dimethylanilino)-2,4-pyrimidinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.