Methyl 4-(pyrimidin-2-ylamino)butanoate
TL;DR: Methyl 4-(pyrimidin-2-ylamino)butanoate (CAS 339016-47-6) 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.
methyl 4-(pyrimidin-2-ylamino)butanoate
Also Known As: methyl 4-(pyrimidin-2-ylamino)butanoate, methyl 4-(2-pyrimidinylamino)butanoate, methylpyrimidinylaminobutanoate, methyl 4-[(pyrimidin-2-yl)amino]butanoate, methyl4-(pyrimidin-2-ylamino)butanoate
| Molecular Formula | C9H13N3O2 |
|---|---|
| Molecular Weight | 195.10 g/mol |
| LogP | 0.8417 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 195.10077 |
| Heavy Atoms | 14 |
| Complexity | 276.6454 |
Chemical Identifiers
| CAS Number | 339016-47-6 |
|---|---|
| SMILES | COC(=O)CCCNC1=NC=CC=N1 |
Product Overview
Methyl 4-(pyrimidin-2-ylamino)butanoate (CAS 339016-47-6), with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol. IUPAC: methyl 4-(pyrimidin-2-ylamino)butanoate.
Chemical Property Profile of Methyl 4-(pyrimidin-2-ylamino)butanoate
Property Insights of Methyl 4-(pyrimidin-2-ylamino)butanoate
The XLogP value of 0.8417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(pyrimidin-2-ylamino)butanoate. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(pyrimidin-2-ylamino)butanoate. Following Lipinski's Rule of Five, Methyl 4-(pyrimidin-2-ylamino)butanoate has 1 hydrogen bond donor(s) and 5 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 Methyl 4-(pyrimidin-2-ylamino)butanoate?
The CAS number of Methyl 4-(pyrimidin-2-ylamino)butanoate is 339016-47-6.
What is the molecular formula of Methyl 4-(pyrimidin-2-ylamino)butanoate?
The molecular formula of Methyl 4-(pyrimidin-2-ylamino)butanoate is C9H13N3O2.
What is the molecular weight of Methyl 4-(pyrimidin-2-ylamino)butanoate?
The molecular weight of Methyl 4-(pyrimidin-2-ylamino)butanoate is 195.10 g/mol.
Where can I buy Methyl 4-(pyrimidin-2-ylamino)butanoate?
You can request a quote for Methyl 4-(pyrimidin-2-ylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(pyrimidin-2-ylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(pyrimidin-2-ylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.