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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Related Compounds

6-(2-fluoro-6-methylsulfonylphenoxy)quinazolin-4-amine
CID 23160309
2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethanol
CID 42611019
6-(2-chloro-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
CID 11647637
but-3-en-2-yl-[2-[[5-fluoro-6-[4-[(5-methylpyrazin-2-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium
CID 143805528
6-[2-fluoro-6-(fluoromethyl)phenoxy]-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
CID 23160268
3-methyl-2-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxybenzonitrile
CID 23160348
6-[(3-chloro-2-pyridinyl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 23160365
4-N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]quinazoline-4,6-diamine
CID 162431522
ethyl-[2-[[5-fluoro-6-[4-[(1-methylpyrazol-3-yl)amino]quinazolin-6-yl]oxy-3-pyridinyl]oxy]ethyl]azanium
CID 59508908
N-[2-fluoro-5-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-6-nitroquinazolin-4-amine
CID 162431691
N-[4-[4-(5-methylpyrazin-2-yl)oxyanilino]quinazolin-6-yl]but-2-ynamide
CID 162432035
N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 86586464

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).