6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
TL;DR: 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione (CAS 887577-87-9) is a chemical compound with molecular formula C9H12N4O4 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-nitro-6-(prop-2-enylamino)pyrimidine-2,4-dione
Also Known As: 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione, 1,3-dimethyl-5-nitro-6-(prop-2-enylamino)pyrimidine-2,4-dione, AQ-917/42754291, 1,3-Dimethyl-5-nitro-6-(2-propen-1-ylamino)-2,4(1H,3H)-pyrimidinedione, 1,3-dimethyl-5-nitro-6-(prop-2-enylamino)-1,3-dihydropyrimidine-2,4-dione
| Molecular Formula | C9H12N4O4 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | -0.4099 |
| Topological Polar Surface Area | 99.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.08586 |
| Heavy Atoms | 17 |
| Complexity | 583.8843 |
Chemical Identifiers
| CAS Number | 887577-87-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])NCC=C |
Product Overview
6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione (CAS 887577-87-9), with molecular formula C9H12N4O4 and molecular weight 240.09 g/mol. IUPAC: 1,3-dimethyl-5-nitro-6-(prop-2-enylamino)pyrimidine-2,4-dione.
Chemical Property Profile of 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
Property Insights of 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
The XLogP value of -0.4099 indicates that 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione has 1 hydrogen bond donor(s) and 5 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 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione?
The CAS number of 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione is 887577-87-9.
What is the molecular formula of 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione is C9H12N4O4.
What is the molecular weight of 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione is 240.09 g/mol.
Where can I buy 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 6-(allylamino)-5-nitro-1,3-dimethyl-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 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 6-(allylamino)-5-nitro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.