6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione
TL;DR: 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione (CAS 60672-15-3) is a chemical compound with molecular formula C13H14N4O4 and molecular weight 290.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4-dione
Also Known As: NCIOpen2_006675, 6-(benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione, 6-(benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4-dione, 6-benzylamino-1,3-dimethyl-5-nitro-1H-pyrimidine-2,4-dione
| Molecular Formula | C13H14N4O4 |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.1015 |
| Heavy Atoms | 21 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 60672-15-3 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])NCC2=CC=CC=C2 |
| InChIKey | GYEDOYGSFQRCOH-UHFFFAOYSA-N |
Product Overview
6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione (CAS 60672-15-3), with molecular formula C13H14N4O4 and molecular weight 290.10 g/mol. IUPAC: 6-(benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4-dione.
Chemical Property Profile of 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione
Property Insights of 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione. Following Lipinski's Rule of Five, 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione 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-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione?
The CAS number of 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione is 60672-15-3.
What is the molecular formula of 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione?
The molecular formula of 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione is C13H14N4O4.
What is the molecular weight of 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione?
The molecular weight of 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione is 290.10 g/mol.
Where can I buy 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione?
You can request a quote for 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzylamino)-1,3-dimethyl-5-nitropyrimidine-2,4(1h,3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.