3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
TL;DR: 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione (CAS 218447-54-2) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
Also Known As: NCI60_028284, J1.631.124C, 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione, 3-methyl-6-(pyrrolidin-1-yl)pyrimidine-2,4(1H,3H)-dione, 3-methyl-6-pyrrolidin-1-ylpyrimidine-2,4(1h,3h)-dione
| Molecular Formula | C9H13N3O2 |
|---|---|
| Molecular Weight | 195.10 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.10077 |
| Heavy Atoms | 14 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 218447-54-2 |
|---|---|
| SMILES | CN1C(=O)C=C(NC1=O)N2CCCC2 |
| InChIKey | CAZLPBSOICEWPG-UHFFFAOYSA-N |
Product Overview
3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione (CAS 218447-54-2), with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol. IUPAC: 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
Property Insights of 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione. With a topological polar surface area (TPSA) of 52.7 Ų, 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione has 1 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 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
The CAS number of 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione is 218447-54-2.
What is the molecular formula of 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
The molecular formula of 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione is C9H13N3O2.
What is the molecular weight of 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
The molecular weight of 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione is 195.10 g/mol.
Where can I buy 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
You can request a quote for 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-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 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.