cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine

C22H24FN3 — CID 142832215

IUPACcyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine
SMILESC1CC1.Cc1cc(-c2cncc(NC(C)c3ccccc3)n2)ccc1F
InChIInChI=1S/C19H18FN3.C3H6/c1-13-10-16(8-9-17(13)20)18-11-21-12-19(23-18)22-14(2)15-6-4-3-5-7-15;1-2-3-1/h3-12,14H,1-2H3,(H,22,23);1-3H2
InChIKeyQFCHQJAPEGNMMD-UHFFFAOYSA-N
MW349.45 g/mol
LogP5.93
Rot. Bonds4

About cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine

cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine (PubChem CID 142832215) has the molecular formula C22H24FN3 and a molecular weight of 349.45 g/mol. Its IUPAC name is cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine.

Molecular Properties

Compound Namecyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine
PubChem CID142832215
Molecular FormulaC22H24FN3
Molecular Weight349.45 g/mol
Exact Mass349.20
IUPAC Namecyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine
SMILESC1CC1.Cc1cc(-c2cncc(NC(C)c3ccccc3)n2)ccc1F
InChIInChI=1S/C19H18FN3.C3H6/c1-13-10-16(8-9-17(13)20)18-11-21-12-19(23-18)22-14(2)15-6-4-3-5-7-15;1-2-3-1/h3-12,14H,1-2H3,(H,22,23);1-3H2
InChIKeyQFCHQJAPEGNMMD-UHFFFAOYSA-N
XLogP5.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.45
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine?
The IUPAC name of cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine (CID 142832215) is cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine.
What is the SMILES notation for cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine?
The canonical SMILES for cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine is C1CC1.Cc1cc(-c2cncc(NC(C)c3ccccc3)n2)ccc1F.
What is the InChIKey of cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine?
The InChIKey is QFCHQJAPEGNMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3.C3H6/c1-13-10-16(8-9-17(13)20)18-11-21-12-19(23-18)22-14(2)15-6-4-3-5-7-15;1-2-3-1/h3-12,14H,1-2H3,(H,22,23);1-3H2.
What are the key properties of cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine?
cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine has a molecular weight of 349.45 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;6-(4-fluoro-3-methylphenyl)-N-(1-phenylethyl)pyrazin-2-amine is sourced from PubChem (CID 142832215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).