2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine

C7H4ClFN4 — CID 10465351

IUPAC2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine
SMILESFc1cnc(Cl)nc1-n1ccnc1
InChIInChI=1S/C7H4ClFN4/c8-7-11-3-5(9)6(12-7)13-2-1-10-4-13/h1-4H
InChIKeyXXVXUNXAFGVMEX-UHFFFAOYSA-N
MW198.59 g/mol
LogP1.45
Rot. Bonds1

About 2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine

2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine (PubChem CID 10465351) has the molecular formula C7H4ClFN4 and a molecular weight of 198.59 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine
PubChem CID10465351
Molecular FormulaC7H4ClFN4
Molecular Weight198.59 g/mol
Exact Mass198.01
IUPAC Name2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine
SMILESFc1cnc(Cl)nc1-n1ccnc1
InChIInChI=1S/C7H4ClFN4/c8-7-11-3-5(9)6(12-7)13-2-1-10-4-13/h1-4H
InChIKeyXXVXUNXAFGVMEX-UHFFFAOYSA-N
XLogP1.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine (CID 10465351) is 2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine is Fc1cnc(Cl)nc1-n1ccnc1.
What is the InChIKey of 2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine?
The InChIKey is XXVXUNXAFGVMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN4/c8-7-11-3-5(9)6(12-7)13-2-1-10-4-13/h1-4H.
What are the key properties of 2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine?
2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine has a molecular weight of 198.59 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-imidazol-1-ylpyrimidine is sourced from PubChem (CID 10465351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).