4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine

C15H11FN2 — CID 89210096

IUPAC4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine
SMILESFc1ccc(/C=C/c2ncnc3c2C=CC3)cc1
InChIInChI=1S/C15H11FN2/c16-12-7-4-11(5-8-12)6-9-15-13-2-1-3-14(13)17-10-18-15/h1-2,4-10H,3H2/b9-6+
InChIKeyPNYNPHTYZRNLDV-RMKNXTFCSA-N
MW238.27 g/mol
LogP3.36
Rot. Bonds2

About 4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine

4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine (PubChem CID 89210096) has the molecular formula C15H11FN2 and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine
PubChem CID89210096
Molecular FormulaC15H11FN2
Molecular Weight238.27 g/mol
Exact Mass238.09
IUPAC Name4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine
SMILESFc1ccc(/C=C/c2ncnc3c2C=CC3)cc1
InChIInChI=1S/C15H11FN2/c16-12-7-4-11(5-8-12)6-9-15-13-2-1-3-14(13)17-10-18-15/h1-2,4-10H,3H2/b9-6+
InChIKeyPNYNPHTYZRNLDV-RMKNXTFCSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine (CID 89210096) is 4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine is Fc1ccc(/C=C/c2ncnc3c2C=CC3)cc1.
What is the InChIKey of 4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine?
The InChIKey is PNYNPHTYZRNLDV-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H11FN2/c16-12-7-4-11(5-8-12)6-9-15-13-2-1-3-14(13)17-10-18-15/h1-2,4-10H,3H2/b9-6+.
What are the key properties of 4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine?
4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine has a molecular weight of 238.27 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-fluorophenyl)ethenyl]-7H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 89210096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).