1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione
TL;DR: 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione (CAS 15236-33-6) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-5-methylpyrimidine-2,4-dione
Also Known As: 1-Butylthymine, 1-n-butylthymine, 1-butyl-5-methylpyrimidine-2,4-dione, 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione, 1-Butyl-5-methylpyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C9H14N2O2 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.10553 |
| Heavy Atoms | 13 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 15236-33-6 |
|---|---|
| SMILES | CCCCN1C=C(C(=O)NC1=O)C |
| InChIKey | NUCUTLRGBQCNFA-UHFFFAOYSA-N |
Product Overview
1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione (CAS 15236-33-6), with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol. IUPAC: 1-butyl-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione
Property Insights of 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione. With a topological polar surface area (TPSA) of 49.4 Ų, 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione has 1 hydrogen bond donor(s) and 2 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 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione?
The CAS number of 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione is 15236-33-6.
What is the molecular formula of 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione is C9H14N2O2.
What is the molecular weight of 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione is 182.11 g/mol.
Where can I buy 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.