6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione
TL;DR: 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione (CAS 157927-50-9) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-dione
Also Known As: 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione, 6-amino-1-(benzo[d][1,3]dioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione, 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-dione, 6-Amino-1-(1,3-benzodioxol-5-ylmethyl)-pyrimidine-2,4(1H,3H)-dione, 2,4(1H,3H)-pyrimidinedione, 6-amino-1-(1,3-benzodioxol-5-ylmethyl)-
Technical Specifications
| Molecular Formula | C12H11N3O4 |
| Molecular Weight | 261.07495 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 93.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.07495 Da |
| Heavy Atoms | 19 |
| Complexity | 437.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=CC(=O)NC3=O)N |
| InChIKey | FPUIANWOPQSXSV-UHFFFAOYSA-N |
Chemical Property Profile of 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione
Property Insights of 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione?
The CAS number of 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione is 157927-50-9.
What is the molecular formula of 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione?
The molecular formula of 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione is C12H11N3O4.
What is the molecular weight of 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione?
The molecular weight of 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione is 261.07495 g/mol.
Where can I buy 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione?
You can request a quote for 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione?
Yes, CoreyChem provides custom synthesis services for 6-amino-1-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.