5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one

C13H10N4OS — CID 19152730

IUPAC5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one
SMILESNc1c(Sc2cccc3cccnc23)nc[nH]c1=O
InChIInChI=1S/C13H10N4OS/c14-10-12(18)16-7-17-13(10)19-9-5-1-3-8-4-2-6-15-11(8)9/h1-7H,14H2,(H,16,17,18)
InChIKeyVWBSXLVSCVDYFB-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.05
Rot. Bonds2

About 5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one

5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one (PubChem CID 19152730) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one
PubChem CID19152730
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one
SMILESNc1c(Sc2cccc3cccnc23)nc[nH]c1=O
InChIInChI=1S/C13H10N4OS/c14-10-12(18)16-7-17-13(10)19-9-5-1-3-8-4-2-6-15-11(8)9/h1-7H,14H2,(H,16,17,18)
InChIKeyVWBSXLVSCVDYFB-UHFFFAOYSA-N
XLogP2.05
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-quinolin-8-yloxy-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19141886
1-S,2-S-diquinolin-8-yl ethanebis(thioate)
CID 2318009
4-(2-methoxyphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19154386
2-[(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 19141406
4-(3,4-dimethylphenoxy)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19154336
3-chloro-4-quinolin-8-ylsulfanylaniline
CID 68885824
methyl 4-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)oxybenzoate
CID 22544875
N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-4-methylbenzohydrazide
CID 19150789
N'-(5-amino-6-quinolin-8-ylsulfanylpyrimidin-4-yl)-2-methylbenzohydrazide
CID 19150958
5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one
CID 114676180
4-(4-benzylpiperazin-1-yl)-6-quinolin-8-ylsulfanylpyrimidin-5-amine
CID 19139396
3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one
CID 162501176

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one (CID 19152730) is 5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one is Nc1c(Sc2cccc3cccnc23)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is VWBSXLVSCVDYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c14-10-12(18)16-7-17-13(10)19-9-5-1-3-8-4-2-6-15-11(8)9/h1-7H,14H2,(H,16,17,18).
What are the key properties of 5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one?
5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 270.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-quinolin-8-ylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 19152730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).