5-sec-Butylamino-1,6-dimethyl-3-phenyluracil
TL;DR: 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil (CAS 56004-53-6) is a chemical compound with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(butan-2-ylamino)-1,6-dimethyl-3-phenylpyrimidine-2,4-dione
Also Known As: 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil, Uracil, 5-sec-butylamino-1,6-dimethyl-3-phenyl-, 5-25-15-00490 (Beilstein Handbook Reference), Uracil,5-sec-butylamino-1,6-dimethyl-3-phenyl, 5- -1,6-dimethyl-3-phenylpyrimidine-2,4 -dione
| Molecular Formula | C16H21N3O2 |
|---|---|
| Molecular Weight | 287.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.1634 |
| Heavy Atoms | 21 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 56004-53-6 |
|---|---|
| SMILES | CCC(C)NC1=C(N(C(=O)N(C1=O)C2=CC=CC=C2)C)C |
| InChIKey | ZNNFDLJQLKVLRQ-UHFFFAOYSA-N |
Product Overview
5-sec-Butylamino-1,6-dimethyl-3-phenyluracil (CAS 56004-53-6), with molecular formula C16H21N3O2 and molecular weight 287.16 g/mol. IUPAC: 5-(butan-2-ylamino)-1,6-dimethyl-3-phenylpyrimidine-2,4-dione.
Chemical Property Profile of 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil
Property Insights of 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil. With a topological polar surface area (TPSA) of 52.7 Ų, 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil 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 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil?
The CAS number of 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil is 56004-53-6.
What is the molecular formula of 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil?
The molecular formula of 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil is C16H21N3O2.
What is the molecular weight of 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil?
The molecular weight of 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil is 287.16 g/mol.
Where can I buy 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil?
You can request a quote for 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil?
Yes, KEHONG BIO provides custom synthesis services for 5-sec-Butylamino-1,6-dimethyl-3-phenyluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.