2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C19H14N2OS — CID 902249

IUPAC2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H14N2OS/c22-18-17-15(14-9-5-2-6-10-14)12-23-19(17)21-16(20-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,20,21,22)
InChIKeyBARQVQMEBGXPLU-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.24
Rot. Bonds3

About 2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 902249) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID902249
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12
InChIInChI=1S/C19H14N2OS/c22-18-17-15(14-9-5-2-6-10-14)12-23-19(17)21-16(20-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,20,21,22)
InChIKeyBARQVQMEBGXPLU-UHFFFAOYSA-N
XLogP4.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 902249) is 2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(Cc2ccccc2)nc2scc(-c3ccccc3)c12.
What is the InChIKey of 2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is BARQVQMEBGXPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c22-18-17-15(14-9-5-2-6-10-14)12-23-19(17)21-16(20-18)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H,20,21,22).
What are the key properties of 2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 318.40 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 902249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).