4,6-bis[(E)-2-phenylethenyl]pyrimidine

C20H16N2 — CID 5331193

IUPAC4,6-bis[(E)-2-phenylethenyl]pyrimidine
SMILESC(=C/c1cc(/C=C/c2ccccc2)ncn1)\c1ccccc1
InChIInChI=1S/C20H16N2/c1-3-7-17(8-4-1)11-13-19-15-20(22-16-21-19)14-12-18-9-5-2-6-10-18/h1-16H/b13-11+,14-12+
InChIKeyVIWSLCCWPMJBQT-PHEQNACWSA-N
MW284.36 g/mol
LogP4.82
Rot. Bonds4

About 4,6-bis[(E)-2-phenylethenyl]pyrimidine

4,6-bis[(E)-2-phenylethenyl]pyrimidine (PubChem CID 5331193) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4,6-bis[(E)-2-phenylethenyl]pyrimidine.

Molecular Properties

Compound Name4,6-bis[(E)-2-phenylethenyl]pyrimidine
PubChem CID5331193
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name4,6-bis[(E)-2-phenylethenyl]pyrimidine
SMILESC(=C/c1cc(/C=C/c2ccccc2)ncn1)\c1ccccc1
InChIInChI=1S/C20H16N2/c1-3-7-17(8-4-1)11-13-19-15-20(22-16-21-19)14-12-18-9-5-2-6-10-18/h1-16H/b13-11+,14-12+
InChIKeyVIWSLCCWPMJBQT-PHEQNACWSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis[(E)-2-phenylethenyl]pyrimidine?
The IUPAC name of 4,6-bis[(E)-2-phenylethenyl]pyrimidine (CID 5331193) is 4,6-bis[(E)-2-phenylethenyl]pyrimidine.
What is the SMILES notation for 4,6-bis[(E)-2-phenylethenyl]pyrimidine?
The canonical SMILES for 4,6-bis[(E)-2-phenylethenyl]pyrimidine is C(=C/c1cc(/C=C/c2ccccc2)ncn1)\c1ccccc1.
What is the InChIKey of 4,6-bis[(E)-2-phenylethenyl]pyrimidine?
The InChIKey is VIWSLCCWPMJBQT-PHEQNACWSA-N. The full InChI is InChI=1S/C20H16N2/c1-3-7-17(8-4-1)11-13-19-15-20(22-16-21-19)14-12-18-9-5-2-6-10-18/h1-16H/b13-11+,14-12+.
What are the key properties of 4,6-bis[(E)-2-phenylethenyl]pyrimidine?
4,6-bis[(E)-2-phenylethenyl]pyrimidine has a molecular weight of 284.36 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[(E)-2-phenylethenyl]pyrimidine is sourced from PubChem (CID 5331193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).