5-ethenyl-2-phenylpyrimidine

C12H10N2 — CID 14317297

IUPAC5-ethenyl-2-phenylpyrimidine
SMILESC=Cc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C12H10N2/c1-2-10-8-13-12(14-9-10)11-6-4-3-5-7-11/h2-9H,1H2
InChIKeyDVPKEQFPXPMNOM-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.79
Rot. Bonds2

About 5-ethenyl-2-phenylpyrimidine

5-ethenyl-2-phenylpyrimidine (PubChem CID 14317297) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-ethenyl-2-phenylpyrimidine.

Molecular Properties

Compound Name5-ethenyl-2-phenylpyrimidine
PubChem CID14317297
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name5-ethenyl-2-phenylpyrimidine
SMILESC=Cc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C12H10N2/c1-2-10-8-13-12(14-9-10)11-6-4-3-5-7-11/h2-9H,1H2
InChIKeyDVPKEQFPXPMNOM-UHFFFAOYSA-N
XLogP2.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-phenylpyrimidine?
The IUPAC name of 5-ethenyl-2-phenylpyrimidine (CID 14317297) is 5-ethenyl-2-phenylpyrimidine.
What is the SMILES notation for 5-ethenyl-2-phenylpyrimidine?
The canonical SMILES for 5-ethenyl-2-phenylpyrimidine is C=Cc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 5-ethenyl-2-phenylpyrimidine?
The InChIKey is DVPKEQFPXPMNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-10-8-13-12(14-9-10)11-6-4-3-5-7-11/h2-9H,1H2.
What are the key properties of 5-ethenyl-2-phenylpyrimidine?
5-ethenyl-2-phenylpyrimidine has a molecular weight of 182.23 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-phenylpyrimidine is sourced from PubChem (CID 14317297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).