1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole

C13H11ClFN3S — CID 103500848

IUPAC1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole
SMILESCSc1nc(Cl)cc(N2CCc3ccc(F)cc32)n1
InChIInChI=1S/C13H11ClFN3S/c1-19-13-16-11(14)7-12(17-13)18-5-4-8-2-3-9(15)6-10(8)18/h2-3,6-7H,4-5H2,1H3
InChIKeyMAYOGGYKTMWZKC-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.69
Rot. Bonds2

About 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole

1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole (PubChem CID 103500848) has the molecular formula C13H11ClFN3S and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole
PubChem CID103500848
Molecular FormulaC13H11ClFN3S
Molecular Weight295.77 g/mol
Exact Mass295.03
IUPAC Name1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole
SMILESCSc1nc(Cl)cc(N2CCc3ccc(F)cc32)n1
InChIInChI=1S/C13H11ClFN3S/c1-19-13-16-11(14)7-12(17-13)18-5-4-8-2-3-9(15)6-10(8)18/h2-3,6-7H,4-5H2,1H3
InChIKeyMAYOGGYKTMWZKC-UHFFFAOYSA-N
XLogP3.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-6-fluoro-2,3-dihydroindole
CID 103500895
1-[4-(chloromethyl)-6-propan-2-yl-2-pyridinyl]-6-fluoro-2,3-dihydroindole
CID 103501443
4-chloro-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 1484532
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine
CID 103504469
[2-(6-fluoro-2,3-dihydroindol-1-yl)-6-methyl-4-pyridinyl]methanol
CID 103501402
N-[[3-chloro-6-(6-fluoro-2,3-dihydroindol-1-yl)-2-pyridinyl]methyl]ethanamine
CID 103502907
6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methoxypyridin-3-amine
CID 103493912
6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 103504467
2-(6-chloro-2-methylpyrimidin-4-yl)-6-fluoro-3,4-dihydro-1H-isoquinoline
CID 133422510
[6-(6-fluoro-2,3-dihydroindol-1-yl)-2-methyl-3-pyridinyl]methanol
CID 103501395
3-fluoro-5-(6-fluoro-2,3-dihydroindol-1-yl)aniline
CID 103493897
6-(6-fluoro-2,3-dihydroindol-1-yl)pyridine-3-carbothioamide
CID 103495649

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole?
The IUPAC name of 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole (CID 103500848) is 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole is CSc1nc(Cl)cc(N2CCc3ccc(F)cc32)n1.
What is the InChIKey of 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole?
The InChIKey is MAYOGGYKTMWZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3S/c1-19-13-16-11(14)7-12(17-13)18-5-4-8-2-3-9(15)6-10(8)18/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole?
1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole has a molecular weight of 295.77 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-6-fluoro-2,3-dihydroindole is sourced from PubChem (CID 103500848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).