6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione
TL;DR: 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione (CAS 96539-88-7) is a chemical compound with molecular formula C11H17N3O2 and molecular weight 223.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-5-piperidin-1-yl-1H-pyrimidine-2,4-dione
Also Known As: 6-Ethyl-5-[1-piperidinyl]-2,4(1H,3H)-pyrimidinedione, 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione, 6-ethyl-5-(piperidin-1-yl)pyrimidine-2,4(1h,3h)-dione, 6-ethyl-5-piperidin-1-yl-1H-pyrimidine-2,4-dione, RefChem:308276
| Molecular Formula | C11H17N3O2 |
|---|---|
| Molecular Weight | 223.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.13208 |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 96539-88-7 |
|---|---|
| SMILES | CCC1=C(C(=O)NC(=O)N1)N2CCCCC2 |
| InChIKey | KAKBJCJKIDDBOH-UHFFFAOYSA-N |
Product Overview
6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione (CAS 96539-88-7), with molecular formula C11H17N3O2 and molecular weight 223.13 g/mol. IUPAC: 6-ethyl-5-piperidin-1-yl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione
Property Insights of 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione has 2 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 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione?
The CAS number of 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione is 96539-88-7.
What is the molecular formula of 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione is C11H17N3O2.
What is the molecular weight of 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione is 223.13 g/mol.
Where can I buy 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethyl-5-(1-piperidinyl)-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.