1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
TL;DR: 1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 446276-10-4) is a chemical compound with molecular formula C6H5N3O3 and molecular weight 167.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 1-methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-methoxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 1-methoxy-2,4-dioxopyrimidine-5-carbonitrile, 1-methoxy-2,4-dioxo-pyrimidine-5-carbonitrile, 11E-957
| Molecular Formula | C6H5N3O3 |
|---|---|
| Molecular Weight | 167.03 g/mol |
| LogP | -1.53332 |
| Topological Polar Surface Area | 87.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0331 |
| Heavy Atoms | 12 |
| Complexity | 436.57715 |
Chemical Identifiers
| CAS Number | 446276-10-4 |
|---|---|
| SMILES | CON1C=C(C(=O)NC1=O)C#N |
Product Overview
1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile (CAS 446276-10-4), with molecular formula C6H5N3O3 and molecular weight 167.03 g/mol. IUPAC: 1-methoxy-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
Property Insights of 1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
The XLogP value of -1.53332 indicates that 1-Methoxy-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 87.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile. Following Lipinski's Rule of Five, 1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile has 1 hydrogen bond donor(s) and 4 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-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The CAS number of 1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 446276-10-4.
What is the molecular formula of 1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular formula of 1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is C6H5N3O3.
What is the molecular weight of 1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
The molecular weight of 1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile is 167.03 g/mol.
Where can I buy 1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
You can request a quote for 1-Methoxy-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-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.