6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine

C19H14FN5O3S — CID 11711284

IUPAC6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine
SMILESCS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnccn3)c2c1
InChIInChI=1S/C19H14FN5O3S/c1-29(26,27)16-4-2-3-14(20)18(16)28-12-5-6-15-13(9-12)19(24-11-23-15)25-17-10-21-7-8-22-17/h2-11H,1H3,(H,22,23,24,25)
InChIKeyIUEBYYLPBPERIC-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.50
Rot. Bonds5

About 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine

6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine (PubChem CID 11711284) has the molecular formula C19H14FN5O3S and a molecular weight of 411.42 g/mol. Its IUPAC name is 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine
PubChem CID11711284
Molecular FormulaC19H14FN5O3S
Molecular Weight411.42 g/mol
Exact Mass411.08
IUPAC Name6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine
SMILESCS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnccn3)c2c1
InChIInChI=1S/C19H14FN5O3S/c1-29(26,27)16-4-2-3-14(20)18(16)28-12-5-6-15-13(9-12)19(24-11-23-15)25-17-10-21-7-8-22-17/h2-11H,1H3,(H,22,23,24,25)
InChIKeyIUEBYYLPBPERIC-UHFFFAOYSA-N
XLogP3.50
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.50
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-pyrazin-2-ylquinazolin-4-amine?
The IUPAC name of 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine (CID 11711284) is 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine.
What is the SMILES notation for 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine?
The canonical SMILES for 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine is CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnccn3)c2c1.
What is the InChIKey of 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine?
The InChIKey is IUEBYYLPBPERIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O3S/c1-29(26,27)16-4-2-3-14(20)18(16)28-12-5-6-15-13(9-12)19(24-11-23-15)25-17-10-21-7-8-22-17/h2-11H,1H3,(H,22,23,24,25).
What are the key properties of 6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine?
6-(2-fluoro-6-methylsulfonylphenoxy)-N-pyrazin-2-ylquinazolin-4-amine has a molecular weight of 411.42 g/mol, XLogP of 3.50, 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-pyrazin-2-ylquinazolin-4-amine is sourced from PubChem (CID 11711284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).