5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine

C18H17FN4O — CID 90312619

IUPAC5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESNCCOc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1
InChIInChI=1S/C18H17FN4O/c19-15-9-12(13-3-1-2-4-17(13)24-8-7-20)5-6-14(15)16-10-23-18(21)11-22-16/h1-6,9-11H,7-8,20H2,(H2,21,23)
InChIKeyAMKHVUQYWKYUNA-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.87
Rot. Bonds5

About 5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine

5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine (PubChem CID 90312619) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine
PubChem CID90312619
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESNCCOc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1
InChIInChI=1S/C18H17FN4O/c19-15-9-12(13-3-1-2-4-17(13)24-8-7-20)5-6-14(15)16-10-23-18(21)11-22-16/h1-6,9-11H,7-8,20H2,(H2,21,23)
InChIKeyAMKHVUQYWKYUNA-UHFFFAOYSA-N
XLogP2.87
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1r)-1-(5-Fluoro-2-Methoxyphenyl)ethoxy]-5-(1-Methyl-1h-1,2,3-Triazol-5-Yl)pyridin-2-Amine
CID 67467779
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
N~3~-[3-(5-Methoxypyridin-3-YL)benzyl]pyridine-2,3-diamine
CID 11500493
(S)-N2-(2-(4-fluorophenoxy)ethyl)-N4-(1-phenylethyl)pyridine-2,4-diamine
CID 10450593
4-N-[2-(4-fluorophenoxy)ethyl]-2-N-[(1S)-1-phenylethyl]pyridine-2,4-diamine
CID 44393193
[3-Ethoxy-5-(3-fluoro-phenyl)-pyridin-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 11267265
6-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine
CID 90310811
2-[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]-5-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 90312726
5-[3-Fluoro-2''-(pyrimidin-2-yloxy)-4''-(trifluoromethyl)biphenyl-4-yl]pyrazin-2-amine
CID 90312947
6-[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenoxy]pyrimidin-4-amine
CID 90313662
3-N-{[3-(5-propoxypyridin-3-yl)phenyl]methyl}pyridine-2,3-diamine
CID 11681539
5-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 3233500

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine (CID 90312619) is 5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine is NCCOc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.
What is the InChIKey of 5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine?
The InChIKey is AMKHVUQYWKYUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-15-9-12(13-3-1-2-4-17(13)24-8-7-20)5-6-14(15)16-10-23-18(21)11-22-16/h1-6,9-11H,7-8,20H2,(H2,21,23).
What are the key properties of 5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine?
5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine has a molecular weight of 324.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-aminoethoxy)phenyl]-2-fluorophenyl]pyrazin-2-amine is sourced from PubChem (CID 90312619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).