N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine

C15H16FN3O — CID 54584794

IUPACN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCOc1cc(F)ccc1-c1cncc(CNC2CC2)n1
InChIInChI=1S/C15H16FN3O/c1-20-15-6-10(16)2-5-13(15)14-9-17-7-12(19-14)8-18-11-3-4-11/h2,5-7,9,11,18H,3-4,8H2,1H3
InChIKeyVBZQILUNZIKERN-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.54
Rot. Bonds5

About N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine

N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 54584794) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID54584794
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCOc1cc(F)ccc1-c1cncc(CNC2CC2)n1
InChIInChI=1S/C15H16FN3O/c1-20-15-6-10(16)2-5-13(15)14-9-17-7-12(19-14)8-18-11-3-4-11/h2,5-7,9,11,18H,3-4,8H2,1H3
InChIKeyVBZQILUNZIKERN-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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine (CID 54584794) is N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine is COc1cc(F)ccc1-c1cncc(CNC2CC2)n1.
What is the InChIKey of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is VBZQILUNZIKERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-20-15-6-10(16)2-5-13(15)14-9-17-7-12(19-14)8-18-11-3-4-11/h2,5-7,9,11,18H,3-4,8H2,1H3.
What are the key properties of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[6-(4-fluoro-2-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-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 54584794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).