2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

C13H11N3OS2 — CID 25107577

IUPAC2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1
InChIInChI=1S/C13H11N3OS2/c1-7-10(19-8-5-3-2-4-6-8)9-11(17)15-13(14)16-12(9)18-7/h2-6H,1H3,(H3,14,15,16,17)
InChIKeyJFGQRULHEDULON-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.03
Rot. Bonds2

About 2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 25107577) has the molecular formula C13H11N3OS2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID25107577
Molecular FormulaC13H11N3OS2
Molecular Weight289.38 g/mol
Exact Mass289.03
IUPAC Name2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1
InChIInChI=1S/C13H11N3OS2/c1-7-10(19-8-5-3-2-4-6-8)9-11(17)15-13(14)16-12(9)18-7/h2-6H,1H3,(H3,14,15,16,17)
InChIKeyJFGQRULHEDULON-UHFFFAOYSA-N
XLogP3.03
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one 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-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 25107577) is 2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccccc1.
What is the InChIKey of 2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is JFGQRULHEDULON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c1-7-10(19-8-5-3-2-4-6-8)9-11(17)15-13(14)16-12(9)18-7/h2-6H,1H3,(H3,14,15,16,17).
What are the key properties of 2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-5-phenylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 25107577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).