6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine

C20H16FN5O3S — CID 23160316

IUPAC6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine
SMILESCc1cnc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)cn1
InChIInChI=1S/C20H16FN5O3S/c1-12-9-23-18(10-22-12)26-20-14-8-13(6-7-16(14)24-11-25-20)29-19-15(21)4-3-5-17(19)30(2,27)28/h3-11H,1-2H3,(H,23,24,25,26)
InChIKeyZUYWFBJBQWODEQ-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.81
Rot. Bonds5

About 6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine

6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine (PubChem CID 23160316) has the molecular formula C20H16FN5O3S and a molecular weight of 425.45 g/mol. Its IUPAC name is 6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine
PubChem CID23160316
Molecular FormulaC20H16FN5O3S
Molecular Weight425.45 g/mol
Exact Mass425.10
IUPAC Name6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine
SMILESCc1cnc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)cn1
InChIInChI=1S/C20H16FN5O3S/c1-12-9-23-18(10-22-12)26-20-14-8-13(6-7-16(14)24-11-25-20)29-19-15(21)4-3-5-17(19)30(2,27)28/h3-11H,1-2H3,(H,23,24,25,26)
InChIKeyZUYWFBJBQWODEQ-UHFFFAOYSA-N
XLogP3.81
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine?
The IUPAC name of 6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine (CID 23160316) is 6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine?
The canonical SMILES for 6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine is Cc1cnc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)cn1.
What is the InChIKey of 6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine?
The InChIKey is ZUYWFBJBQWODEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S/c1-12-9-23-18(10-22-12)26-20-14-8-13(6-7-16(14)24-11-25-20)29-19-15(21)4-3-5-17(19)30(2,27)28/h3-11H,1-2H3,(H,23,24,25,26).
What are the key properties of 6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine?
6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine has a molecular weight of 425.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-6-methylsulfonylphenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine is sourced from PubChem (CID 23160316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).