3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one

C13H12N4OS — CID 62268917

IUPAC3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCc1ccnc(Sc2ccc3c(c2)NC(=O)C3N)n1
InChIInChI=1S/C13H12N4OS/c1-7-4-5-15-13(16-7)19-8-2-3-9-10(6-8)17-12(18)11(9)14/h2-6,11H,14H2,1H3,(H,17,18)
InChIKeyGAUPTMIWPTUJHI-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.89
Rot. Bonds2

About 3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one

3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 62268917) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID62268917
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCc1ccnc(Sc2ccc3c(c2)NC(=O)C3N)n1
InChIInChI=1S/C13H12N4OS/c1-7-4-5-15-13(16-7)19-8-2-3-9-10(6-8)17-12(18)11(9)14/h2-6,11H,14H2,1H3,(H,17,18)
InChIKeyGAUPTMIWPTUJHI-UHFFFAOYSA-N
XLogP1.89
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one (CID 62268917) is 3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one is Cc1ccnc(Sc2ccc3c(c2)NC(=O)C3N)n1.
What is the InChIKey of 3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is GAUPTMIWPTUJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-7-4-5-15-13(16-7)19-8-2-3-9-10(6-8)17-12(18)11(9)14/h2-6,11H,14H2,1H3,(H,17,18).
What are the key properties of 3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one?
3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 272.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 62268917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).