3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one

C13H11N3OS2 — CID 848952

IUPAC3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCSc1nc2sc(-c3ccccc3)cc2c(=O)n1N
InChIInChI=1S/C13H11N3OS2/c1-18-13-15-11-9(12(17)16(13)14)7-10(19-11)8-5-3-2-4-6-8/h2-7H,14H2,1H3
InChIKeyVRGQEZHUWJGTSA-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.56
Rot. Bonds2

About 3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one

3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 848952) has the molecular formula C13H11N3OS2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID848952
Molecular FormulaC13H11N3OS2
Molecular Weight289.39 g/mol
Exact Mass289.03
IUPAC Name3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCSc1nc2sc(-c3ccccc3)cc2c(=O)n1N
InChIInChI=1S/C13H11N3OS2/c1-18-13-15-11-9(12(17)16(13)14)7-10(19-11)8-5-3-2-4-6-8/h2-7H,14H2,1H3
InChIKeyVRGQEZHUWJGTSA-UHFFFAOYSA-N
XLogP2.56
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one (CID 848952) is 3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one is CSc1nc2sc(-c3ccccc3)cc2c(=O)n1N.
What is the InChIKey of 3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is VRGQEZHUWJGTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c1-18-13-15-11-9(12(17)16(13)14)7-10(19-11)8-5-3-2-4-6-8/h2-7H,14H2,1H3.
What are the key properties of 3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one?
3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 289.39 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylsulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 848952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).