6-Pentylpyrimidine-2,4(1h,3h)-dione
TL;DR: 6-Pentylpyrimidine-2,4(1h,3h)-dione (CAS 1334-68-5) is a chemical compound with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-pentyl-1H-pyrimidine-2,4-dione
Also Known As: 6-pentylpyrimidine-2,4(1h,3h)-dione, 6-pentyl-1H-pyrimidine-2,4-dione, NCIOpen2_001874, 6-[(4-aminophenyl)methyl]-1H-pyrimidine-2,4-dione
| Molecular Formula | C9H14N2O2 |
|---|---|
| Molecular Weight | 182.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.10553 |
| Heavy Atoms | 13 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 1334-68-5 |
|---|---|
| SMILES | CCCCCC1=CC(=O)NC(=O)N1 |
| InChIKey | CPIVDBMTUAMXRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Pentylpyrimidine-2,4(1h,3h)-dione (CAS 1334-68-5), with molecular formula C9H14N2O2 and molecular weight 182.11 g/mol. IUPAC: 6-pentyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-Pentylpyrimidine-2,4(1h,3h)-dione
Property Insights of 6-Pentylpyrimidine-2,4(1h,3h)-dione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Pentylpyrimidine-2,4(1h,3h)-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 6-Pentylpyrimidine-2,4(1h,3h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Pentylpyrimidine-2,4(1h,3h)-dione has 2 hydrogen bond donor(s) and 2 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-Pentylpyrimidine-2,4(1h,3h)-dione?
The CAS number of 6-Pentylpyrimidine-2,4(1h,3h)-dione is 1334-68-5.
What is the molecular formula of 6-Pentylpyrimidine-2,4(1h,3h)-dione?
The molecular formula of 6-Pentylpyrimidine-2,4(1h,3h)-dione is C9H14N2O2.
What is the molecular weight of 6-Pentylpyrimidine-2,4(1h,3h)-dione?
The molecular weight of 6-Pentylpyrimidine-2,4(1h,3h)-dione is 182.11 g/mol.
Where can I buy 6-Pentylpyrimidine-2,4(1h,3h)-dione?
You can request a quote for 6-Pentylpyrimidine-2,4(1h,3h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Pentylpyrimidine-2,4(1h,3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Pentylpyrimidine-2,4(1h,3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.