2,4-difluoro-6-imidazol-1-ylpyrimidine

C7H4F2N4 — CID 20814539

IUPAC2,4-difluoro-6-imidazol-1-ylpyrimidine
SMILESFc1cc(-n2ccnc2)nc(F)n1
InChIInChI=1S/C7H4F2N4/c8-5-3-6(12-7(9)11-5)13-2-1-10-4-13/h1-4H
InChIKeyQRNISODLOBPRDG-UHFFFAOYSA-N
MW182.13 g/mol
LogP0.94
Rot. Bonds1

About 2,4-difluoro-6-imidazol-1-ylpyrimidine

2,4-difluoro-6-imidazol-1-ylpyrimidine (PubChem CID 20814539) has the molecular formula C7H4F2N4 and a molecular weight of 182.13 g/mol. Its IUPAC name is 2,4-difluoro-6-imidazol-1-ylpyrimidine.

Molecular Properties

Compound Name2,4-difluoro-6-imidazol-1-ylpyrimidine
PubChem CID20814539
Molecular FormulaC7H4F2N4
Molecular Weight182.13 g/mol
Exact Mass182.04
IUPAC Name2,4-difluoro-6-imidazol-1-ylpyrimidine
SMILESFc1cc(-n2ccnc2)nc(F)n1
InChIInChI=1S/C7H4F2N4/c8-5-3-6(12-7(9)11-5)13-2-1-10-4-13/h1-4H
InChIKeyQRNISODLOBPRDG-UHFFFAOYSA-N
XLogP0.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-imidazol-1-ylpyrimidine?
The IUPAC name of 2,4-difluoro-6-imidazol-1-ylpyrimidine (CID 20814539) is 2,4-difluoro-6-imidazol-1-ylpyrimidine.
What is the SMILES notation for 2,4-difluoro-6-imidazol-1-ylpyrimidine?
The canonical SMILES for 2,4-difluoro-6-imidazol-1-ylpyrimidine is Fc1cc(-n2ccnc2)nc(F)n1.
What is the InChIKey of 2,4-difluoro-6-imidazol-1-ylpyrimidine?
The InChIKey is QRNISODLOBPRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N4/c8-5-3-6(12-7(9)11-5)13-2-1-10-4-13/h1-4H.
What are the key properties of 2,4-difluoro-6-imidazol-1-ylpyrimidine?
2,4-difluoro-6-imidazol-1-ylpyrimidine has a molecular weight of 182.13 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-imidazol-1-ylpyrimidine is sourced from PubChem (CID 20814539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).