2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)-
TL;DR: 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)- (CAS 84859-01-8) is a chemical compound with molecular formula C11H16N4 and molecular weight 204.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-methyl-N-pyrimidin-2-ylazepan-2-imine
Also Known As: N-(Hexahydro-1-methyl-2H-azepin-2-ylidene)-2-pyrimidinamine, 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)-, RefChem:1064686, BRN 4441856
| Molecular Formula | C11H16N4 |
|---|---|
| Molecular Weight | 204.14 g/mol |
| LogP | 2.0124 |
| Topological Polar Surface Area | 41.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.1375 |
| Heavy Atoms | 15 |
| Complexity | 333.701 |
Chemical Identifiers
| CAS Number | 84859-01-8 |
|---|---|
| SMILES | CN\1CCCCC/C1=N\C2=NC=CC=N2 |
Product Overview
2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)- (CAS 84859-01-8), with molecular formula C11H16N4 and molecular weight 204.14 g/mol. IUPAC: (E)-1-methyl-N-pyrimidin-2-ylazepan-2-imine.
Chemical Property Profile of 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)-
Property Insights of 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)-
The XLogP value of 2.0124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)-. With a topological polar surface area (TPSA) of 41.38 Ų, 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)- 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-(hexahydro-1-methyl-2H-azepin-2-ylidene)-?
The CAS number of 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)- is 84859-01-8.
What is the molecular formula of 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)-?
The molecular formula of 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)- is C11H16N4.
What is the molecular weight of 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)-?
The molecular weight of 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)- is 204.14 g/mol.
Where can I buy 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)-?
You can request a quote for 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)- 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-(hexahydro-1-methyl-2H-azepin-2-ylidene)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrimidinamine, N-(hexahydro-1-methyl-2H-azepin-2-ylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.