Diethyl pyrimidine-4,6-diyldicarbamate
TL;DR: Diethyl pyrimidine-4,6-diyldicarbamate (CAS 2852-13-3) is a chemical compound with molecular formula C10H14N4O4 and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[6-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate
Also Known As: NCIOpen2_003827, Diethyl pyrimidine-4,6-diyldicarbamate, diethyl pyrimidine-4,6-diylbiscarbamate, ethyl N-[6-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate, 4,6-Pyrimidinedicarbamicacid, diethyl ester (7CI,8CI)
| Molecular Formula | C10H14N4O4 |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.1015 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 2852-13-3 |
|---|---|
| SMILES | CCOC(=O)NC1=CC(=NC=N1)NC(=O)OCC |
| InChIKey | KLHJKQUUBHEJOW-UHFFFAOYSA-N |
Product Overview
Diethyl pyrimidine-4,6-diyldicarbamate (CAS 2852-13-3), with molecular formula C10H14N4O4 and molecular weight 254.10 g/mol. IUPAC: ethyl N-[6-(ethoxycarbonylamino)pyrimidin-4-yl]carbamate.
Chemical Property Profile of Diethyl pyrimidine-4,6-diyldicarbamate
Property Insights of Diethyl pyrimidine-4,6-diyldicarbamate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl pyrimidine-4,6-diyldicarbamate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl pyrimidine-4,6-diyldicarbamate. Following Lipinski's Rule of Five, Diethyl pyrimidine-4,6-diyldicarbamate has 2 hydrogen bond donor(s) and 6 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 Diethyl pyrimidine-4,6-diyldicarbamate?
The CAS number of Diethyl pyrimidine-4,6-diyldicarbamate is 2852-13-3.
What is the molecular formula of Diethyl pyrimidine-4,6-diyldicarbamate?
The molecular formula of Diethyl pyrimidine-4,6-diyldicarbamate is C10H14N4O4.
What is the molecular weight of Diethyl pyrimidine-4,6-diyldicarbamate?
The molecular weight of Diethyl pyrimidine-4,6-diyldicarbamate is 254.10 g/mol.
Where can I buy Diethyl pyrimidine-4,6-diyldicarbamate?
You can request a quote for Diethyl pyrimidine-4,6-diyldicarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl pyrimidine-4,6-diyldicarbamate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl pyrimidine-4,6-diyldicarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.