N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine

C15H16FN3O — CID 54586717

IUPACN-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCOc1cccc(-c2cncc(CNC3CC3)n2)c1F
InChIInChI=1S/C15H16FN3O/c1-20-14-4-2-3-12(15(14)16)13-9-17-7-11(19-13)8-18-10-5-6-10/h2-4,7,9-10,18H,5-6,8H2,1H3
InChIKeyWHCICWBHRUWEDA-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.54
Rot. Bonds5

About N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine

N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 54586717) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID54586717
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCOc1cccc(-c2cncc(CNC3CC3)n2)c1F
InChIInChI=1S/C15H16FN3O/c1-20-14-4-2-3-12(15(14)16)13-9-17-7-11(19-13)8-18-10-5-6-10/h2-4,7,9-10,18H,5-6,8H2,1H3
InChIKeyWHCICWBHRUWEDA-UHFFFAOYSA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine (CID 54586717) is N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine is COc1cccc(-c2cncc(CNC3CC3)n2)c1F.
What is the InChIKey of N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is WHCICWBHRUWEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-20-14-4-2-3-12(15(14)16)13-9-17-7-11(19-13)8-18-10-5-6-10/h2-4,7,9-10,18H,5-6,8H2,1H3.
What are the key properties of N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 273.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 54586717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).