6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine

C13H13ClFN3O — CID 82718278

IUPAC6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(Oc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C13H13ClFN3O/c1-2-5-17-12-7-16-8-13(18-12)19-9-3-4-10(14)11(15)6-9/h3-4,6-8H,2,5H2,1H3,(H,17,18)
InChIKeyRJOOLULHIXQVCS-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.88
Rot. Bonds5

About 6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine

6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine (PubChem CID 82718278) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine
PubChem CID82718278
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(Oc2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C13H13ClFN3O/c1-2-5-17-12-7-16-8-13(18-12)19-9-3-4-10(14)11(15)6-9/h3-4,6-8H,2,5H2,1H3,(H,17,18)
InChIKeyRJOOLULHIXQVCS-UHFFFAOYSA-N
XLogP3.88
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-chloro-3-fluorophenoxy)pyrazin-2-yl]hydrazine
CID 82719274
6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine
CID 80862814
6-(4-chloro-3-fluorophenoxy)-N-propylpyrimidin-4-amine
CID 82717955
2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine
CID 116691218
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 80877912
6-[(6-methyl-3-pyridinyl)oxy]-N-propylpyrazin-2-amine
CID 80873646
2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine
CID 82716672
6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 83236953
6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80876210
2-[4-[6-(propylamino)pyrazin-2-yl]oxyphenyl]ethanol
CID 107710246
6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 82718288

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine?
The IUPAC name of 6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine (CID 82718278) is 6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine?
The canonical SMILES for 6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine is CCCNc1cncc(Oc2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine?
The InChIKey is RJOOLULHIXQVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-2-5-17-12-7-16-8-13(18-12)19-9-3-4-10(14)11(15)6-9/h3-4,6-8H,2,5H2,1H3,(H,17,18).
What are the key properties of 6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine?
6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine has a molecular weight of 281.72 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine is sourced from PubChem (CID 82718278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).