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

C13H14N6OS — CID 61296786

IUPAC6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3nc(N)cc(N)n3)ccc21
InChIInChI=1S/C13H14N6OS/c1-16-11-7-3-2-6(4-8(7)17-12(11)20)21-13-18-9(14)5-10(15)19-13/h2-5,11,16H,1H3,(H,17,20)(H4,14,15,18,19)
InChIKeyFZWLUZJOSNTMNN-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.00
Rot. Bonds3

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

6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 61296786) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID61296786
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(Sc3nc(N)cc(N)n3)ccc21
InChIInChI=1S/C13H14N6OS/c1-16-11-7-3-2-6(4-8(7)17-12(11)20)21-13-18-9(14)5-10(15)19-13/h2-5,11,16H,1H3,(H,17,20)(H4,14,15,18,19)
InChIKeyFZWLUZJOSNTMNN-UHFFFAOYSA-N
XLogP1.00
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one (CID 61296786) is 6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(Sc3nc(N)cc(N)n3)ccc21.
What is the InChIKey of 6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is FZWLUZJOSNTMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c1-16-11-7-3-2-6(4-8(7)17-12(11)20)21-13-18-9(14)5-10(15)19-13/h2-5,11,16H,1H3,(H,17,20)(H4,14,15,18,19).
What are the key properties of 6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one?
6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 302.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 61296786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).