5-fluoro-2-imidazol-1-ylpyrimidine

C7H5FN4 — CID 115749868

IUPAC5-fluoro-2-imidazol-1-ylpyrimidine
SMILESFc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C7H5FN4/c8-6-3-10-7(11-4-6)12-2-1-9-5-12/h1-5H
InChIKeyXGBFSDXQGLAAJQ-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.80
Rot. Bonds1

About 5-fluoro-2-imidazol-1-ylpyrimidine

5-fluoro-2-imidazol-1-ylpyrimidine (PubChem CID 115749868) has the molecular formula C7H5FN4 and a molecular weight of 164.14 g/mol. Its IUPAC name is 5-fluoro-2-imidazol-1-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-imidazol-1-ylpyrimidine
PubChem CID115749868
Molecular FormulaC7H5FN4
Molecular Weight164.14 g/mol
Exact Mass164.05
IUPAC Name5-fluoro-2-imidazol-1-ylpyrimidine
SMILESFc1cnc(-n2ccnc2)nc1
InChIInChI=1S/C7H5FN4/c8-6-3-10-7(11-4-6)12-2-1-9-5-12/h1-5H
InChIKeyXGBFSDXQGLAAJQ-UHFFFAOYSA-N
XLogP0.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazo(1,2-a)pyrimidine
CID 577018
Imidazo[1,5-a]pyrimidine
CID 577096
Imidazo(1,5-a)pyrazine
CID 292283
4-chloro-2-(1H-imidazol-1-yl)pyrimidine
CID 10607483
Pyrimidine, 2-(1H-imidazol-1-yl)-4-(1-pyrrolidinyl)-, monohydrochloride
CID 3071757
2-chloro-4-(1H-imidazol-1-yl)pyrimidine
CID 10631238
5-Bromo-2-(1H-imidazol-1-YL)pyrimidine
CID 16414245
6-Bromoimidazo[1,2-a]pyrimidine
CID 26967622
2-chloro-4-(2-methyl-1H-imidazol-1-yl)pyrimidine
CID 62343269
3-Iodoimidazo[1,2-a]pyrimidine
CID 75412176
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50956142
2-(1H-Imidazol-1-yl)pyrimidine
CID 9120662

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-imidazol-1-ylpyrimidine?
The IUPAC name of 5-fluoro-2-imidazol-1-ylpyrimidine (CID 115749868) is 5-fluoro-2-imidazol-1-ylpyrimidine.
What is the SMILES notation for 5-fluoro-2-imidazol-1-ylpyrimidine?
The canonical SMILES for 5-fluoro-2-imidazol-1-ylpyrimidine is Fc1cnc(-n2ccnc2)nc1.
What is the InChIKey of 5-fluoro-2-imidazol-1-ylpyrimidine?
The InChIKey is XGBFSDXQGLAAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4/c8-6-3-10-7(11-4-6)12-2-1-9-5-12/h1-5H.
What are the key properties of 5-fluoro-2-imidazol-1-ylpyrimidine?
5-fluoro-2-imidazol-1-ylpyrimidine has a molecular weight of 164.14 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-imidazol-1-ylpyrimidine is sourced from PubChem (CID 115749868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).