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

C26H22N2O2 — CID 25132936

IUPAC4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine
SMILESC(=C/c1cc(OCc2ccccc2)nc(OCc2ccccc2)n1)\c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-4-10-21(11-5-1)16-17-24-18-25(29-19-22-12-6-2-7-13-22)28-26(27-24)30-20-23-14-8-3-9-15-23/h1-18H,19-20H2/b17-16+
InChIKeyCKZMEVVMNKTIBT-WUKNDPDISA-N
MW394.47 g/mol
LogP5.80
Rot. Bonds8

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

4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine (PubChem CID 25132936) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine.

Molecular Properties

Compound Name4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine
PubChem CID25132936
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine
SMILESC(=C/c1cc(OCc2ccccc2)nc(OCc2ccccc2)n1)\c1ccccc1
InChIInChI=1S/C26H22N2O2/c1-4-10-21(11-5-1)16-17-24-18-25(29-19-22-12-6-2-7-13-22)28-26(27-24)30-20-23-14-8-3-9-15-23/h1-18H,19-20H2/b17-16+
InChIKeyCKZMEVVMNKTIBT-WUKNDPDISA-N
XLogP5.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine?
The IUPAC name of 4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine (CID 25132936) is 4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine.
What is the SMILES notation for 4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine?
The canonical SMILES for 4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine is C(=C/c1cc(OCc2ccccc2)nc(OCc2ccccc2)n1)\c1ccccc1.
What is the InChIKey of 4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine?
The InChIKey is CKZMEVVMNKTIBT-WUKNDPDISA-N. The full InChI is InChI=1S/C26H22N2O2/c1-4-10-21(11-5-1)16-17-24-18-25(29-19-22-12-6-2-7-13-22)28-26(27-24)30-20-23-14-8-3-9-15-23/h1-18H,19-20H2/b17-16+.
What are the key properties of 4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine?
4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine has a molecular weight of 394.47 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-phenylethenyl]-2,6-bis(phenylmethoxy)pyrimidine is sourced from PubChem (CID 25132936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).