ChemDiv2_000670
TL;DR: ChemDiv2_000670 (CAS 5770-49-0) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(benzylamino)-1,3-dimethylpyrimidine-2,4-dione
Also Known As: ChemDiv2_000670, 1,3-Dimethyl-6-benzylaminouracil, 1,3-Dimethyl-6-(benzylamino)uracil, 6-(Benzylamino)-1,3-dimethyluracil, 6-BENZYLAMINO-1,3-DIMETHYLURACIL
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 5770-49-0 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C)NCC2=CC=CC=C2 |
| InChIKey | IASNJHQWQYIVJS-UHFFFAOYSA-N |
Product Overview
ChemDiv2_000670 (CAS 5770-49-0), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: 6-(benzylamino)-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of ChemDiv2_000670
Property Insights of ChemDiv2_000670
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_000670. With a topological polar surface area (TPSA) of 52.7 Ų, ChemDiv2_000670 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_000670 has 1 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 ChemDiv2_000670?
The CAS number of ChemDiv2_000670 is 5770-49-0.
What is the molecular formula of ChemDiv2_000670?
The molecular formula of ChemDiv2_000670 is C13H15N3O2.
What is the molecular weight of ChemDiv2_000670?
The molecular weight of ChemDiv2_000670 is 245.12 g/mol.
Where can I buy ChemDiv2_000670?
You can request a quote for ChemDiv2_000670 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_000670?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_000670 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.