1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine

C16H18FN3O — CID 54585736

IUPAC1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine
SMILESCOc1cccc(-c2cncc(CNCC3CC3)n2)c1F
InChIInChI=1S/C16H18FN3O/c1-21-15-4-2-3-13(16(15)17)14-10-19-9-12(20-14)8-18-7-11-5-6-11/h2-4,9-11,18H,5-8H2,1H3
InChIKeySPFOJSBLGPNTCT-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.79
Rot. Bonds6

About 1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine

1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine (PubChem CID 54585736) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine
PubChem CID54585736
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine
SMILESCOc1cccc(-c2cncc(CNCC3CC3)n2)c1F
InChIInChI=1S/C16H18FN3O/c1-21-15-4-2-3-13(16(15)17)14-10-19-9-12(20-14)8-18-7-11-5-6-11/h2-4,9-11,18H,5-8H2,1H3
InChIKeySPFOJSBLGPNTCT-UHFFFAOYSA-N
XLogP2.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine (CID 54585736) is 1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine is COc1cccc(-c2cncc(CNCC3CC3)n2)c1F.
What is the InChIKey of 1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine?
The InChIKey is SPFOJSBLGPNTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-21-15-4-2-3-13(16(15)17)14-10-19-9-12(20-14)8-18-7-11-5-6-11/h2-4,9-11,18H,5-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine?
1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine has a molecular weight of 287.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[6-(2-fluoro-3-methoxyphenyl)pyrazin-2-yl]methyl]methanamine is sourced from PubChem (CID 54585736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).