N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
TL;DR: N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CAS 883-53-4) is a chemical compound with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
Also Known As: N-Cbz-5-aminovaleric Acid, n-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide, N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide, N-Butyl-2,4-dihydroxypyrimidine-5-carboximidic acid
| Molecular Formula | C9H13N3O3 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.09569 |
| Heavy Atoms | 15 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 883-53-4 |
|---|---|
| SMILES | CCCCNC(=O)C1=CNC(=O)NC1=O |
| InChIKey | VXLGNUXBIUVZPP-UHFFFAOYSA-N |
Product Overview
N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CAS 883-53-4), with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol. IUPAC: N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
Chemical Property Profile of N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
Property Insights of N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide. Following Lipinski's Rule of Five, N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has 3 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 N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The CAS number of N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is 883-53-4.
What is the molecular formula of N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The molecular formula of N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is C9H13N3O3.
What is the molecular weight of N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The molecular weight of N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is 211.10 g/mol.
Where can I buy N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
You can request a quote for N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2,4-dioxo-1H-pyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.