3-Isobutyl-6-methyluracil
TL;DR: 3-Isobutyl-6-methyluracil (CAS 1804-01-9) 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.
6-methyl-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione
Also Known As: 3-isobutyl-6-methyluracil, 6-methyl-3-(2-methylpropyl)-1H-pyrimidine-2,4-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 | 2 |
| Exact Mass | 182.10553 |
| Heavy Atoms | 13 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 1804-01-9 |
|---|---|
| SMILES | CC1=CC(=O)N(C(=O)N1)CC(C)C |
| InChIKey | FMRWAKZUWFOTDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Isobutyl-6-methyluracil (CAS 1804-01-9), with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol. IUPAC: 6-methyl-3-(2-methylpropyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 3-Isobutyl-6-methyluracil
Property Insights of 3-Isobutyl-6-methyluracil
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isobutyl-6-methyluracil. With a topological polar surface area (TPSA) of 49.4 Ų, 3-Isobutyl-6-methyluracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isobutyl-6-methyluracil 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 3-Isobutyl-6-methyluracil?
The CAS number of 3-Isobutyl-6-methyluracil is 1804-01-9.
What is the molecular formula of 3-Isobutyl-6-methyluracil?
The molecular formula of 3-Isobutyl-6-methyluracil is C9H14N2O2.
What is the molecular weight of 3-Isobutyl-6-methyluracil?
The molecular weight of 3-Isobutyl-6-methyluracil is 182.11 g/mol.
Where can I buy 3-Isobutyl-6-methyluracil?
You can request a quote for 3-Isobutyl-6-methyluracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isobutyl-6-methyluracil?
Yes, KEHONG BIO provides custom synthesis services for 3-Isobutyl-6-methyluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.