6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

C20H19N5O3S — CID 23160272

IUPAC6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCc1cccc(S(C)(=O)=O)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1
InChIInChI=1S/C20H19N5O3S/c1-13-5-4-6-17(29(3,26)27)19(13)28-14-7-8-16-15(11-14)20(22-12-21-16)23-18-9-10-25(2)24-18/h4-12H,1-3H3,(H,21,22,23,24)
InChIKeyVEWHRCPJODSYHU-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.61
Rot. Bonds5

About 6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine

6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (PubChem CID 23160272) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
PubChem CID23160272
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine
SMILESCc1cccc(S(C)(=O)=O)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1
InChIInChI=1S/C20H19N5O3S/c1-13-5-4-6-17(29(3,26)27)19(13)28-14-7-8-16-15(11-14)20(22-12-21-16)23-18-9-10-25(2)24-18/h4-12H,1-3H3,(H,21,22,23,24)
InChIKeyVEWHRCPJODSYHU-UHFFFAOYSA-N
XLogP3.61
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-{1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}-6-{4-[(2-methanesulfonylethyl)amino]butoxy}quinazolin-4-amine
CID 5329493
6-(2-fluoro-6-(methylsulfonyl)phenoxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 11589677
6-(2,4-difluorophenoxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 11610032
6-(2-chloro-6-(methylsulfonyl)phenoxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 11647637
N-(1-ethyl-1H-pyrazol-3-yl)-6-(2-fluoro-6-(methylsulfonyl)phenoxy)quinazolin-4-amine
CID 11690454
6-(2-fluoro-6-(methylsulfonyl)phenoxy)-N-(pyrazin-2-yl)quinazolin-4-amine
CID 11711284
N-(1-methyl-1H-pyrazol-3-yl)-6-(2-(methylsulfonyl)phenoxy)quinazolin-4-amine
CID 11718171
N-(1-methyl-1H-pyrazol-3-yl)-6-(4-methyl-2-(methylsulfonyl)phenoxy)quinazolin-4-amine
CID 23160260
6-(2,6-Difluorophenoxy)-N-(1-methyl-pyrazol-3-yl)-quinazolin-4-yl-amine
CID 23160266
6-(3-fluoropyridin-2-yloxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 23160287
6-(2-fluoro-6-(methylsulfonyl)phenoxy)-N-(pyridazin-3-yl)quinazolin-4-amine
CID 23160298
6-(2-fluoro-6-(methylsulfonyl)phenoxy)-N-(5-methylpyrazin-2-yl)quinazolin-4-amine
CID 23160316

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine (CID 23160272) is 6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is Cc1cccc(S(C)(=O)=O)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1.
What is the InChIKey of 6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
The InChIKey is VEWHRCPJODSYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-13-5-4-6-17(29(3,26)27)19(13)28-14-7-8-16-15(11-14)20(22-12-21-16)23-18-9-10-25(2)24-18/h4-12H,1-3H3,(H,21,22,23,24).
What are the key properties of 6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine?
6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine has a molecular weight of 409.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-6-methylsulfonylphenoxy)-N-(1-methylpyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 23160272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).