2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)-
TL;DR: 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)- (CAS 84859-00-7) is a chemical compound with molecular formula C12H18N4 and molecular weight 218.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-butyl-N-pyrimidin-2-ylpyrrolidin-2-imine
Also Known As: N-(1-Butyl-2-pyrrolidinylidene)-2-pyrimidinamine, 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)-, RefChem:1064683
| Molecular Formula | C12H18N4 |
|---|---|
| Molecular Weight | 218.15 g/mol |
| LogP | 2.4025 |
| Topological Polar Surface Area | 41.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.15315 |
| Heavy Atoms | 16 |
| Complexity | 347.2962 |
Chemical Identifiers
| CAS Number | 84859-00-7 |
|---|---|
| SMILES | CCCCN\1CCC/C1=N\C2=NC=CC=N2 |
Product Overview
2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)- (CAS 84859-00-7), with molecular formula C12H18N4 and molecular weight 218.15 g/mol. IUPAC: (E)-1-butyl-N-pyrimidin-2-ylpyrrolidin-2-imine.
Chemical Property Profile of 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)-
Property Insights of 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)-
The XLogP value of 2.4025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)-. With a topological polar surface area (TPSA) of 41.38 Ų, 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)- has 0 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 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)-?
The CAS number of 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)- is 84859-00-7.
What is the molecular formula of 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)-?
The molecular formula of 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)- is C12H18N4.
What is the molecular weight of 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)-?
The molecular weight of 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)- is 218.15 g/mol.
Where can I buy 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)-?
You can request a quote for 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrimidinamine, N-(1-butyl-2-pyrrolidinylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.