![2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol structure](/static/products/400/400064-80-4.png)
2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol
TL;DR: 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol (CAS 400064-80-4) is a chemical compound with molecular formula C11H19N3O2S and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
Also Known As: BAS 01811599, 2-((2-(dimethylamino)ethyl)thio)-6-hydroxy-5-isopropylpyrimidin-4(3H)-one, 2-(2-Dimethylamino-ethylsulfanyl)-6-hydroxy-5-isopropyl-3H-pyrimidin-4-one, 2-{[2-(dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol, 2-(2-dimethylaminoethylsulfanyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
| Molecular Formula | C11H19N3O2S |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.1198 |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 400064-80-4 |
|---|---|
| SMILES | CC(C)C1=C(N=C(NC1=O)SCCN(C)C)O |
| InChIKey | JLWOZTUMLCZCDP-UHFFFAOYSA-N |
Product Overview
2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol (CAS 400064-80-4), with molecular formula C11H19N3O2S and molecular weight 257.12 g/mol. IUPAC: 2-[2-(dimethylamino)ethylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
Chemical Property Profile of 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol
Property Insights of 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol. Following Lipinski's Rule of Five, 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol has 2 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 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol?
The CAS number of 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol is 400064-80-4.
What is the molecular formula of 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol?
The molecular formula of 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol is C11H19N3O2S.
What is the molecular weight of 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol?
The molecular weight of 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol is 257.12 g/mol.
Where can I buy 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol?
You can request a quote for 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(Dimethylamino)ethyl]sulfanyl}-5-(propan-2-yl)pyrimidine-4,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.