6-Benzylamino-1H-pyrimidine-2,4-dione
TL;DR: 6-Benzylamino-1H-pyrimidine-2,4-dione (CAS 5759-80-8) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(benzylamino)-1H-pyrimidine-2,4-dione
Also Known As: 6-benzylaminouracil, 6-(Benzylamino)uracil, starbld0038125, ChemDiv2_000645, 6-(benzylamino)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 5759-80-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=CC(=O)NC(=O)N2 |
| InChIKey | NORSBFZJRBPBQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Benzylamino-1H-pyrimidine-2,4-dione (CAS 5759-80-8), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: 6-(benzylamino)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-Benzylamino-1H-pyrimidine-2,4-dione
Property Insights of 6-Benzylamino-1H-pyrimidine-2,4-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzylamino-1H-pyrimidine-2,4-dione. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzylamino-1H-pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 6-Benzylamino-1H-pyrimidine-2,4-dione 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-Benzylamino-1H-pyrimidine-2,4-dione?
The CAS number of 6-Benzylamino-1H-pyrimidine-2,4-dione is 5759-80-8.
What is the molecular formula of 6-Benzylamino-1H-pyrimidine-2,4-dione?
The molecular formula of 6-Benzylamino-1H-pyrimidine-2,4-dione is C11H11N3O2.
What is the molecular weight of 6-Benzylamino-1H-pyrimidine-2,4-dione?
The molecular weight of 6-Benzylamino-1H-pyrimidine-2,4-dione is 217.09 g/mol.
Where can I buy 6-Benzylamino-1H-pyrimidine-2,4-dione?
You can request a quote for 6-Benzylamino-1H-pyrimidine-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzylamino-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzylamino-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.