2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate
TL;DR: 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate (CAS 1222-30-6) is a chemical compound with molecular formula C11H14N6OS and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetamido-5-(2-cyanoethyl)-6-methylpyrimidin-4-yl] carbamimidothioate
Also Known As: 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate, [2-acetamido-5-(2-cyanoethyl)-6-methylpyrimidin-4-yl] carbamimidothioate, 2-Acetamido-5-(2-cyanoethyl)-6-methylpyrimidin-4-yl carbamimidothioate, N-[4-carbamimidoylsulfanyl-5-(2-cyanoethyl)-6-methyl-pyrimidin-2-yl]acetamide
| Molecular Formula | C11H14N6OS |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.09497 |
| Heavy Atoms | 19 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 1222-30-6 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)NC(=O)C)SC(=N)N)CCC#N |
| InChIKey | MULPGLGDMQKIFP-UHFFFAOYSA-N |
Product Overview
2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate (CAS 1222-30-6), with molecular formula C11H14N6OS and molecular weight 278.09 g/mol. IUPAC: [2-acetamido-5-(2-cyanoethyl)-6-methylpyrimidin-4-yl] carbamimidothioate.
Chemical Property Profile of 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate
Property Insights of 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate. The TPSA of 154.0 Ų indicates high polarity, suggesting 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate has 3 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 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate?
The CAS number of 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate is 1222-30-6.
What is the molecular formula of 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate?
The molecular formula of 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate is C11H14N6OS.
What is the molecular weight of 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate?
The molecular weight of 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate is 278.09 g/mol.
Where can I buy 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate?
You can request a quote for 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl imidothiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.