3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

C20H14N2OS — CID 78320802

IUPAC3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESC=Cc1cccc(-n2cnc3c(-c4ccccc4)csc3c2=O)c1
InChIInChI=1S/C20H14N2OS/c1-2-14-7-6-10-16(11-14)22-13-21-18-17(12-24-19(18)20(22)23)15-8-4-3-5-9-15/h2-13H,1H2
InChIKeyMUWDZAMFYDEHDH-UHFFFAOYSA-N
MW330.41 g/mol
LogP4.76
Rot. Bonds3

About 3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 78320802) has the molecular formula C20H14N2OS and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID78320802
Molecular FormulaC20H14N2OS
Molecular Weight330.41 g/mol
Exact Mass330.08
IUPAC Name3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESC=Cc1cccc(-n2cnc3c(-c4ccccc4)csc3c2=O)c1
InChIInChI=1S/C20H14N2OS/c1-2-14-7-6-10-16(11-14)22-13-21-18-17(12-24-19(18)20(22)23)15-8-4-3-5-9-15/h2-13H,1H2
InChIKeyMUWDZAMFYDEHDH-UHFFFAOYSA-N
XLogP4.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (CID 78320802) is 3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is C=Cc1cccc(-n2cnc3c(-c4ccccc4)csc3c2=O)c1.
What is the InChIKey of 3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is MUWDZAMFYDEHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2OS/c1-2-14-7-6-10-16(11-14)22-13-21-18-17(12-24-19(18)20(22)23)15-8-4-3-5-9-15/h2-13H,1H2.
What are the key properties of 3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 330.41 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenylphenyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78320802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).