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

C12H12N6OS — CID 61296785

IUPAC3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESNc1cc(N)nc(Sc2ccc3c(c2)NC(=O)C3N)n1
InChIInChI=1S/C12H12N6OS/c13-8-4-9(14)18-12(17-8)20-5-1-2-6-7(3-5)16-11(19)10(6)15/h1-4,10H,15H2,(H,16,19)(H4,13,14,17,18)
InChIKeyZPTYQWKUTCHLNC-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.74
Rot. Bonds2

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

3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 61296785) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID61296785
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESNc1cc(N)nc(Sc2ccc3c(c2)NC(=O)C3N)n1
InChIInChI=1S/C12H12N6OS/c13-8-4-9(14)18-12(17-8)20-5-1-2-6-7(3-5)16-11(19)10(6)15/h1-4,10H,15H2,(H,16,19)(H4,13,14,17,18)
InChIKeyZPTYQWKUTCHLNC-UHFFFAOYSA-N
XLogP0.74
TPSA132.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one (CID 61296785) is 3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one is Nc1cc(N)nc(Sc2ccc3c(c2)NC(=O)C3N)n1.
What is the InChIKey of 3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is ZPTYQWKUTCHLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c13-8-4-9(14)18-12(17-8)20-5-1-2-6-7(3-5)16-11(19)10(6)15/h1-4,10H,15H2,(H,16,19)(H4,13,14,17,18).
What are the key properties of 3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one?
3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 288.34 g/mol, XLogP of 0.74, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4,6-diaminopyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 61296785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).