1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
TL;DR: 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 338399-90-9) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonitrile
Also Known As: 1-allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 3-methyl-2,4-dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, allylmethyldioxotetrahydropyrimidinecarbonitrile, 2L-904, 3-methyl-2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonitrile
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | -0.39532 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 516.32935 |
Chemical Identifiers
| CAS Number | 338399-90-9 |
|---|---|
| SMILES | CN1C(=O)C(=CN(C1=O)CC=C)C#N |
Product Overview
1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 338399-90-9), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: 3-methyl-2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonitrile.
Chemical Property Profile of 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Property Insights of 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
The XLogP value of -0.39532 indicates that 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile has 0 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 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The CAS number of 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 338399-90-9.
What is the molecular formula of 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular formula of 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is C9H9N3O2.
What is the molecular weight of 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular weight of 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 191.07 g/mol.
Where can I buy 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
You can request a quote for 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.