2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine

C22H23N5OS2 — CID 142485864

IUPAC2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1sc2nc(-c3cnc(NC)nc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C22H23N5OS2/c1-3-4-10-30(28)21-19(23)18-16(14-8-6-5-7-9-14)11-17(27-20(18)29-21)15-12-25-22(24-2)26-13-15/h5-9,11-13H,3-4,10,23H2,1-2H3,(H,24,25,26)
InChIKeyCZYYWZOFIXJSFA-UHFFFAOYSA-N
MW437.59 g/mol
LogP4.95
Rot. Bonds7

About 2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine

2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine (PubChem CID 142485864) has the molecular formula C22H23N5OS2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
PubChem CID142485864
Molecular FormulaC22H23N5OS2
Molecular Weight437.59 g/mol
Exact Mass437.13
IUPAC Name2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1sc2nc(-c3cnc(NC)nc3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C22H23N5OS2/c1-3-4-10-30(28)21-19(23)18-16(14-8-6-5-7-9-14)11-17(27-20(18)29-21)15-12-25-22(24-2)26-13-15/h5-9,11-13H,3-4,10,23H2,1-2H3,(H,24,25,26)
InChIKeyCZYYWZOFIXJSFA-UHFFFAOYSA-N
XLogP4.95
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine (CID 142485864) is 2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1sc2nc(-c3cnc(NC)nc3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine?
The InChIKey is CZYYWZOFIXJSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS2/c1-3-4-10-30(28)21-19(23)18-16(14-8-6-5-7-9-14)11-17(27-20(18)29-21)15-12-25-22(24-2)26-13-15/h5-9,11-13H,3-4,10,23H2,1-2H3,(H,24,25,26).
What are the key properties of 2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine?
2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine has a molecular weight of 437.59 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-6-[2-(methylamino)pyrimidin-5-yl]-4-phenylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 142485864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).