4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine

C20H16N4O2S — CID 19154386

IUPAC4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(Sc2cccc3cccnc23)c1N
InChIInChI=1S/C20H16N4O2S/c1-25-14-8-2-3-9-15(14)26-19-17(21)20(24-12-23-19)27-16-10-4-6-13-7-5-11-22-18(13)16/h2-12H,21H2,1H3
InChIKeyDBERPCNVEPOFIC-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.56
Rot. Bonds5

About 4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine

4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine (PubChem CID 19154386) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
PubChem CID19154386
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(Sc2cccc3cccnc23)c1N
InChIInChI=1S/C20H16N4O2S/c1-25-14-8-2-3-9-15(14)26-19-17(21)20(24-12-23-19)27-16-10-4-6-13-7-5-11-22-18(13)16/h2-12H,21H2,1H3
InChIKeyDBERPCNVEPOFIC-UHFFFAOYSA-N
XLogP4.56
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine?
The IUPAC name of 4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine (CID 19154386) is 4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine?
The canonical SMILES for 4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine is COc1ccccc1Oc1ncnc(Sc2cccc3cccnc23)c1N.
What is the InChIKey of 4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine?
The InChIKey is DBERPCNVEPOFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-25-14-8-2-3-9-15(14)26-19-17(21)20(24-12-23-19)27-16-10-4-6-13-7-5-11-22-18(13)16/h2-12H,21H2,1H3.
What are the key properties of 4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine?
4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine has a molecular weight of 376.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 19154386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).