5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine

C19H13N3 — CID 11500155

IUPAC5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine
SMILESC(#Cc1ncc(/C=C/c2ccccc2)cn1)c1cccnc1
InChIInChI=1S/C19H13N3/c1-2-5-16(6-3-1)8-9-18-14-21-19(22-15-18)11-10-17-7-4-12-20-13-17/h1-9,12-15H/b9-8+
InChIKeyKDQKJDZAZRLOIR-CMDGGOBGSA-N
MW283.33 g/mol
LogP3.44
Rot. Bonds2

About 5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine

5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine (PubChem CID 11500155) has the molecular formula C19H13N3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine
PubChem CID11500155
Molecular FormulaC19H13N3
Molecular Weight283.33 g/mol
Exact Mass283.11
IUPAC Name5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine
SMILESC(#Cc1ncc(/C=C/c2ccccc2)cn1)c1cccnc1
InChIInChI=1S/C19H13N3/c1-2-5-16(6-3-1)8-9-18-14-21-19(22-15-18)11-10-17-7-4-12-20-13-17/h1-9,12-15H/b9-8+
InChIKeyKDQKJDZAZRLOIR-CMDGGOBGSA-N
XLogP3.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine?
The IUPAC name of 5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine (CID 11500155) is 5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine?
The canonical SMILES for 5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine is C(#Cc1ncc(/C=C/c2ccccc2)cn1)c1cccnc1.
What is the InChIKey of 5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine?
The InChIKey is KDQKJDZAZRLOIR-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H13N3/c1-2-5-16(6-3-1)8-9-18-14-21-19(22-15-18)11-10-17-7-4-12-20-13-17/h1-9,12-15H/b9-8+.
What are the key properties of 5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine?
5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine has a molecular weight of 283.33 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenylethenyl]-2-(2-pyridin-3-ylethynyl)pyrimidine is sourced from PubChem (CID 11500155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).