5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine

C16H12N2S — CID 90682856

IUPAC5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine
SMILESC(=C/c1cncnc1-c1cccs1)\c1ccccc1
InChIInChI=1S/C16H12N2S/c1-2-5-13(6-3-1)8-9-14-11-17-12-18-16(14)15-7-4-10-19-15/h1-12H/b9-8+
InChIKeyHSMXDGKBNZEYPQ-CMDGGOBGSA-N
MW264.35 g/mol
LogP4.38
Rot. Bonds3

About 5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine

5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine (PubChem CID 90682856) has the molecular formula C16H12N2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine
PubChem CID90682856
Molecular FormulaC16H12N2S
Molecular Weight264.35 g/mol
Exact Mass264.07
IUPAC Name5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine
SMILESC(=C/c1cncnc1-c1cccs1)\c1ccccc1
InChIInChI=1S/C16H12N2S/c1-2-5-13(6-3-1)8-9-14-11-17-12-18-16(14)15-7-4-10-19-15/h1-12H/b9-8+
InChIKeyHSMXDGKBNZEYPQ-CMDGGOBGSA-N
XLogP4.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine?
The IUPAC name of 5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine (CID 90682856) is 5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine is C(=C/c1cncnc1-c1cccs1)\c1ccccc1.
What is the InChIKey of 5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine?
The InChIKey is HSMXDGKBNZEYPQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H12N2S/c1-2-5-13(6-3-1)8-9-14-11-17-12-18-16(14)15-7-4-10-19-15/h1-12H/b9-8+.
What are the key properties of 5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine?
5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine has a molecular weight of 264.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenylethenyl]-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 90682856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).