(E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate
TL;DR: (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate (CAS 487008-54-8) is a chemical compound with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (E)-3-(2,4-diamino-6-methylpyrimidin-5-yl)prop-2-enoate
Also Known As: (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate, tert-butyl (E)-3-(2,4-diamino-6-methylpyrimidin-5-yl)prop-2-enoate
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 1.30432 |
| Topological Polar Surface Area | 104.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 466.33615 |
Chemical Identifiers
| CAS Number | 487008-54-8 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)N)N)/C=C/C(=O)OC(C)(C)C |
Product Overview
(E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate (CAS 487008-54-8), with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol. IUPAC: tert-butyl (E)-3-(2,4-diamino-6-methylpyrimidin-5-yl)prop-2-enoate.
Chemical Property Profile of (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate
Property Insights of (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate
The XLogP value of 1.30432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate. The TPSA of 104.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate. Following Lipinski's Rule of Five, (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate has 2 hydrogen bond donor(s) and 6 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 (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate?
The CAS number of (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate is 487008-54-8.
What is the molecular formula of (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate?
The molecular formula of (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate is C12H18N4O2.
What is the molecular weight of (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate?
The molecular weight of (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate is 250.14 g/mol.
Where can I buy (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate?
You can request a quote for (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-tert-butyl 3-(6-amino-2-imino-4-methyl-1,2-dihydropyrimidin-5-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.