5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

C15H12N2OS — CID 731336

IUPAC5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
SMILESC=CCn1cnc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C15H12N2OS/c1-2-8-17-10-16-14-13(15(17)18)12(9-19-14)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2
InChIKeyBYVWXIIHUHVAMW-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.31
Rot. Bonds3

About 5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one (PubChem CID 731336) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
PubChem CID731336
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
SMILESC=CCn1cnc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C15H12N2OS/c1-2-8-17-10-16-14-13(15(17)18)12(9-19-14)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2
InChIKeyBYVWXIIHUHVAMW-UHFFFAOYSA-N
XLogP3.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one (CID 731336) is 5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one is C=CCn1cnc2scc(-c3ccccc3)c2c1=O.
What is the InChIKey of 5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is BYVWXIIHUHVAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-2-8-17-10-16-14-13(15(17)18)12(9-19-14)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2.
What are the key properties of 5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one?
5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 268.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 731336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).