3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one

C15H15N3OS2 — CID 848953

IUPAC3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCC(C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1N
InChIInChI=1S/C15H15N3OS2/c1-9(2)20-15-17-13-11(14(19)18(15)16)8-12(21-13)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3
InChIKeyJTPYTQNXXTYKKO-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.34
Rot. Bonds3

About 3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one

3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one (PubChem CID 848953) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
PubChem CID848953
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCC(C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1N
InChIInChI=1S/C15H15N3OS2/c1-9(2)20-15-17-13-11(14(19)18(15)16)8-12(21-13)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3
InChIKeyJTPYTQNXXTYKKO-UHFFFAOYSA-N
XLogP3.34
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one (CID 848953) is 3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one is CC(C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1N.
What is the InChIKey of 3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is JTPYTQNXXTYKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-9(2)20-15-17-13-11(14(19)18(15)16)8-12(21-13)10-6-4-3-5-7-10/h3-9H,16H2,1-2H3.
What are the key properties of 3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one?
3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 317.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-phenyl-2-propan-2-ylsulfanylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 848953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).