5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine

C13H12N2O — CID 127036446

IUPAC5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine
SMILESCOc1ccccc1/C=C/c1cncnc1
InChIInChI=1S/C13H12N2O/c1-16-13-5-3-2-4-12(13)7-6-11-8-14-10-15-9-11/h2-10H,1H3/b7-6+
InChIKeyXLXGRANOPBCQJU-VOTSOKGWSA-N
MW212.25 g/mol
LogP2.66
Rot. Bonds3

About 5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine

5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine (PubChem CID 127036446) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine.

Molecular Properties

Compound Name5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine
PubChem CID127036446
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine
SMILESCOc1ccccc1/C=C/c1cncnc1
InChIInChI=1S/C13H12N2O/c1-16-13-5-3-2-4-12(13)7-6-11-8-14-10-15-9-11/h2-10H,1H3/b7-6+
InChIKeyXLXGRANOPBCQJU-VOTSOKGWSA-N
XLogP2.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine?
The IUPAC name of 5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine (CID 127036446) is 5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine.
What is the SMILES notation for 5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine?
The canonical SMILES for 5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine is COc1ccccc1/C=C/c1cncnc1.
What is the InChIKey of 5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine?
The InChIKey is XLXGRANOPBCQJU-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H12N2O/c1-16-13-5-3-2-4-12(13)7-6-11-8-14-10-15-9-11/h2-10H,1H3/b7-6+.
What are the key properties of 5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine?
5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine has a molecular weight of 212.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine is sourced from PubChem (CID 127036446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).