2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine

C11H16FN3O — CID 126857105

IUPAC2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine
SMILESCc1cncc(CNC2CCCOC2F)n1
InChIInChI=1S/C11H16FN3O/c1-8-5-13-6-9(15-8)7-14-10-3-2-4-16-11(10)12/h5-6,10-11,14H,2-4,7H2,1H3
InChIKeyBPKLFRJSLNMCTI-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.35
Rot. Bonds3

About 2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine

2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine (PubChem CID 126857105) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine
PubChem CID126857105
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine
SMILESCc1cncc(CNC2CCCOC2F)n1
InChIInChI=1S/C11H16FN3O/c1-8-5-13-6-9(15-8)7-14-10-3-2-4-16-11(10)12/h5-6,10-11,14H,2-4,7H2,1H3
InChIKeyBPKLFRJSLNMCTI-UHFFFAOYSA-N
XLogP1.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55122186
N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62846087
N-(pyrazin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63826777
1-pyrazin-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 64191748
N-[(5-methylpyrazin-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 65806253
N-[2-(2,2-difluoroethoxy)ethyl]-1-pyrazin-2-ylethanamine
CID 103080648
N-ethyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215347
N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215352
N-ethyl-1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475841
N-[1-pyrazin-2-yl-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
CID 103475958
2-(2,2-difluoroethoxy)-N-(pyrazin-2-ylmethyl)ethanamine
CID 105906014
N-[1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 113789314

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine?
The IUPAC name of 2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine (CID 126857105) is 2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine.
What is the SMILES notation for 2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine?
The canonical SMILES for 2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine is Cc1cncc(CNC2CCCOC2F)n1.
What is the InChIKey of 2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine?
The InChIKey is BPKLFRJSLNMCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-8-5-13-6-9(15-8)7-14-10-3-2-4-16-11(10)12/h5-6,10-11,14H,2-4,7H2,1H3.
What are the key properties of 2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine?
2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine has a molecular weight of 225.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(6-methylpyrazin-2-yl)methyl]oxan-3-amine is sourced from PubChem (CID 126857105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).