1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2)
TL;DR: 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2) (CAS 77869-59-1) is a chemical compound with molecular formula C17H25N3O8 and molecular weight 399.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-methyl-1,3-diazinan-1-yl)ethyl]aniline;oxalic acid
Also Known As: N-Ethyl-3-ethyl Piperidinecarboxylate, N-(2-(3-Methylhexahydropyrimidino)ethyl)aniline oxalate, Tetrahydro-3-methyl-N-phenyl-1(2H)-pyrimidineethanamine ethanedioate (1:2), 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2), N-[2-(3-methyl-1,3-diazinan-1-yl)ethyl]aniline; oxalic acid
| Molecular Formula | C17H25N3O8 |
|---|---|
| Molecular Weight | 399.16 g/mol |
| LogP | 0.0047 |
| Topological Polar Surface Area | 167.71 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.16415 |
| Heavy Atoms | 28 |
| Complexity | 590.5495 |
Chemical Identifiers
| CAS Number | 77869-59-1 |
|---|---|
| SMILES | CN1CCCN(C1)CCNC2=CC=CC=C2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2) (CAS 77869-59-1), with molecular formula C17H25N3O8 and molecular weight 399.16 g/mol. IUPAC: N-[2-(3-methyl-1,3-diazinan-1-yl)ethyl]aniline;oxalic acid.
Chemical Property Profile of 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2)
Property Insights of 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2)
The XLogP value of 0.0047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2). The TPSA of 167.71 Ų indicates high polarity, suggesting 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2) has 5 hydrogen bond donor(s) and 7 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(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2)?
The CAS number of 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2) is 77869-59-1.
What is the molecular formula of 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2)?
The molecular formula of 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2) is C17H25N3O8.
What is the molecular weight of 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2)?
The molecular weight of 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2) is 399.16 g/mol.
Where can I buy 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2)?
You can request a quote for 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2)?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Pyrimidineethanamine, tetrahydro-3-methyl-N-phenyl-, ethanedioate (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.