5-(3-Methylanilino)-1,3-diazinane-2,4-dione
TL;DR: 5-(3-Methylanilino)-1,3-diazinane-2,4-dione (CAS 75947-54-5) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methylanilino)-1,3-diazinane-2,4-dione
Also Known As: 5-(3-methylanilino)-1,3-diazinane-2,4-dione, 5-(3-methyl-anilino)-dihydro-pyrimidine-2,4-dione, 5-[(3-methylphenyl)amino]dihydropyrimidine-2,4(1h,3h)-dione, 5-(m-Tolylamino)dihydropyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 75947-54-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2CNC(=O)NC2=O |
| InChIKey | NKDYYNJZAKMDKE-UHFFFAOYSA-N |
Product Overview
5-(3-Methylanilino)-1,3-diazinane-2,4-dione (CAS 75947-54-5), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: 5-(3-methylanilino)-1,3-diazinane-2,4-dione.
Chemical Property Profile of 5-(3-Methylanilino)-1,3-diazinane-2,4-dione
Property Insights of 5-(3-Methylanilino)-1,3-diazinane-2,4-dione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Methylanilino)-1,3-diazinane-2,4-dione. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Methylanilino)-1,3-diazinane-2,4-dione. Following Lipinski's Rule of Five, 5-(3-Methylanilino)-1,3-diazinane-2,4-dione has 3 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 5-(3-Methylanilino)-1,3-diazinane-2,4-dione?
The CAS number of 5-(3-Methylanilino)-1,3-diazinane-2,4-dione is 75947-54-5.
What is the molecular formula of 5-(3-Methylanilino)-1,3-diazinane-2,4-dione?
The molecular formula of 5-(3-Methylanilino)-1,3-diazinane-2,4-dione is C11H13N3O2.
What is the molecular weight of 5-(3-Methylanilino)-1,3-diazinane-2,4-dione?
The molecular weight of 5-(3-Methylanilino)-1,3-diazinane-2,4-dione is 219.10 g/mol.
Where can I buy 5-(3-Methylanilino)-1,3-diazinane-2,4-dione?
You can request a quote for 5-(3-Methylanilino)-1,3-diazinane-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Methylanilino)-1,3-diazinane-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Methylanilino)-1,3-diazinane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.