1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
TL;DR: 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione (CAS 168413-01-2) is a chemical compound with molecular formula C7H6N2O2 and molecular weight 150.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-ynylpyrimidine-2,4-dione
Also Known As: 1-Propargyluracil, 1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione, N-1-Propargyluracil, 1-prop-2-ynylpyrimidine-2,4-dione, 1-(prop-2-ynyl)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C7H6N2O2 |
|---|---|
| Molecular Weight | 150.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.04292 |
| Heavy Atoms | 11 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 168413-01-2 |
|---|---|
| SMILES | C#CCN1C=CC(=O)NC1=O |
| InChIKey | SDVSAGDRFBEIDA-UHFFFAOYSA-N |
Product Overview
1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione (CAS 168413-01-2), with molecular formula C7H6N2O2 and molecular weight 150.04 g/mol. IUPAC: 1-prop-2-ynylpyrimidine-2,4-dione.
Chemical Property Profile of 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
Property Insights of 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
The XLogP value of -0.7 indicates that 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.4 Ų, 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione has 1 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 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione?
The CAS number of 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione is 168413-01-2.
What is the molecular formula of 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione?
The molecular formula of 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione is C7H6N2O2.
What is the molecular weight of 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione?
The molecular weight of 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione is 150.04 g/mol.
Where can I buy 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione?
You can request a quote for 1-(Prop-2-yn-1-yl)pyrimidine-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 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(Prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.