4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine

C15H15FN2O2 — CID 16732887

IUPAC4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine
SMILESCOc1cc(/C=C(\C)c2ccc(F)cc2)nc(OC)n1
InChIInChI=1S/C15H15FN2O2/c1-10(11-4-6-12(16)7-5-11)8-13-9-14(19-2)18-15(17-13)20-3/h4-9H,1-3H3/b10-8+
InChIKeyPTXLMDOCUMXOKW-CSKARUKUSA-N
MW274.30 g/mol
LogP3.19
Rot. Bonds4

About 4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine

4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine (PubChem CID 16732887) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine
PubChem CID16732887
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine
SMILESCOc1cc(/C=C(\C)c2ccc(F)cc2)nc(OC)n1
InChIInChI=1S/C15H15FN2O2/c1-10(11-4-6-12(16)7-5-11)8-13-9-14(19-2)18-15(17-13)20-3/h4-9H,1-3H3/b10-8+
InChIKeyPTXLMDOCUMXOKW-CSKARUKUSA-N
XLogP3.19
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine?
The IUPAC name of 4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine (CID 16732887) is 4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine is COc1cc(/C=C(\C)c2ccc(F)cc2)nc(OC)n1.
What is the InChIKey of 4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine?
The InChIKey is PTXLMDOCUMXOKW-CSKARUKUSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10(11-4-6-12(16)7-5-11)8-13-9-14(19-2)18-15(17-13)20-3/h4-9H,1-3H3/b10-8+.
What are the key properties of 4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine?
4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine has a molecular weight of 274.30 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-fluorophenyl)prop-1-enyl]-2,6-dimethoxypyrimidine is sourced from PubChem (CID 16732887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).