4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine

C22H15N5OS — CID 19141886

IUPAC4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine
SMILESNc1c(Oc2cccc3cccnc23)ncnc1Sc1cccc2cccnc12
InChIInChI=1S/C22H15N5OS/c23-18-21(28-16-9-1-5-14-7-3-11-24-19(14)16)26-13-27-22(18)29-17-10-2-6-15-8-4-12-25-20(15)17/h1-13H,23H2
InChIKeyUXLBYUFIOYNLLM-UHFFFAOYSA-N
MW397.46 g/mol
LogP5.10
Rot. Bonds4

About 4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine

4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine (PubChem CID 19141886) has the molecular formula C22H15N5OS and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine
PubChem CID19141886
Molecular FormulaC22H15N5OS
Molecular Weight397.46 g/mol
Exact Mass397.10
IUPAC Name4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine
SMILESNc1c(Oc2cccc3cccnc23)ncnc1Sc1cccc2cccnc12
InChIInChI=1S/C22H15N5OS/c23-18-21(28-16-9-1-5-14-7-3-11-24-19(14)16)26-13-27-22(18)29-17-10-2-6-15-8-4-12-25-20(15)17/h1-13H,23H2
InChIKeyUXLBYUFIOYNLLM-UHFFFAOYSA-N
XLogP5.10
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19154386
4-(3,4-dimethylphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19154336
methyl 4-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)oxybenzoate
CID 22544875
4-propan-2-yloxy-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141825
4-N-(2-ethoxyphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine
CID 19154251
4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141838
4-N-(2-methoxy-5-methylphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine
CID 22542015
4-N-(3-methylbutyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141836
4-N-(4-propan-2-ylphenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 22547806
4-N-cycloheptyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141861
8-(6-ethoxy-5-nitropyrimidin-4-yl)sulfanylquinoline
CID 22537288
4-N-cyclohexyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135779

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine?
The IUPAC name of 4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine (CID 19141886) is 4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine?
The canonical SMILES for 4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine is Nc1c(Oc2cccc3cccnc23)ncnc1Sc1cccc2cccnc12.
What is the InChIKey of 4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine?
The InChIKey is UXLBYUFIOYNLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5OS/c23-18-21(28-16-9-1-5-14-7-3-11-24-19(14)16)26-13-27-22(18)29-17-10-2-6-15-8-4-12-25-20(15)17/h1-13H,23H2.
What are the key properties of 4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine?
4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine has a molecular weight of 397.46 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine is sourced from PubChem (CID 19141886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).