4,5-difluoro-6-prop-2-enylpyrimidine

C7H6F2N2 — CID 54139664

IUPAC4,5-difluoro-6-prop-2-enylpyrimidine
SMILESC=CCc1ncnc(F)c1F
InChIInChI=1S/C7H6F2N2/c1-2-3-5-6(8)7(9)11-4-10-5/h2,4H,1,3H2
InChIKeyNYTHTIRJCUJLLG-UHFFFAOYSA-N
MW156.13 g/mol
LogP1.48
Rot. Bonds2

About 4,5-difluoro-6-prop-2-enylpyrimidine

4,5-difluoro-6-prop-2-enylpyrimidine (PubChem CID 54139664) has the molecular formula C7H6F2N2 and a molecular weight of 156.13 g/mol. Its IUPAC name is 4,5-difluoro-6-prop-2-enylpyrimidine.

Molecular Properties

Compound Name4,5-difluoro-6-prop-2-enylpyrimidine
PubChem CID54139664
Molecular FormulaC7H6F2N2
Molecular Weight156.13 g/mol
Exact Mass156.05
IUPAC Name4,5-difluoro-6-prop-2-enylpyrimidine
SMILESC=CCc1ncnc(F)c1F
InChIInChI=1S/C7H6F2N2/c1-2-3-5-6(8)7(9)11-4-10-5/h2,4H,1,3H2
InChIKeyNYTHTIRJCUJLLG-UHFFFAOYSA-N
XLogP1.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-6-prop-2-enylpyrimidine?
The IUPAC name of 4,5-difluoro-6-prop-2-enylpyrimidine (CID 54139664) is 4,5-difluoro-6-prop-2-enylpyrimidine.
What is the SMILES notation for 4,5-difluoro-6-prop-2-enylpyrimidine?
The canonical SMILES for 4,5-difluoro-6-prop-2-enylpyrimidine is C=CCc1ncnc(F)c1F.
What is the InChIKey of 4,5-difluoro-6-prop-2-enylpyrimidine?
The InChIKey is NYTHTIRJCUJLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2/c1-2-3-5-6(8)7(9)11-4-10-5/h2,4H,1,3H2.
What are the key properties of 4,5-difluoro-6-prop-2-enylpyrimidine?
4,5-difluoro-6-prop-2-enylpyrimidine has a molecular weight of 156.13 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-6-prop-2-enylpyrimidine is sourced from PubChem (CID 54139664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).