6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione
TL;DR: 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione (CAS 94597-56-5) is a chemical compound with molecular formula C14H13N3O3 and molecular weight 271.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione
Also Known As: 6-amino-5-cinnamoyl-1-methylpyrimidine-2,4(1H,3H)-dione, 6-amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione
| Molecular Formula | C14H13N3O3 |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.0957 |
| Heavy Atoms | 20 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 94597-56-5 |
|---|---|
| SMILES | CN1C(=C(C(=O)NC1=O)C(=O)C=CC2=CC=CC=C2)N |
| InChIKey | AFFISXLBJAWJBH-UHFFFAOYSA-N |
Product Overview
6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione (CAS 94597-56-5), with molecular formula C14H13N3O3 and molecular weight 271.10 g/mol. IUPAC: 6-amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione.
Chemical Property Profile of 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione
Property Insights of 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione. Following Lipinski's Rule of Five, 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione has 2 hydrogen bond donor(s) and 4 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-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione?
The CAS number of 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione is 94597-56-5.
What is the molecular formula of 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione?
The molecular formula of 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione is C14H13N3O3.
What is the molecular weight of 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione?
The molecular weight of 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione is 271.10 g/mol.
Where can I buy 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione?
You can request a quote for 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)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-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-1-methyl-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.