2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine

C9H8ClFN4 — CID 79079543

IUPAC2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine
SMILESCCn1ccnc1-c1nc(Cl)ncc1F
InChIInChI=1S/C9H8ClFN4/c1-2-15-4-3-12-8(15)7-6(11)5-13-9(10)14-7/h3-5H,2H2,1H3
InChIKeyGVLGVTWQVQVWLZ-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.15
Rot. Bonds2

About 2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine

2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine (PubChem CID 79079543) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is 2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine
PubChem CID79079543
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC Name2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine
SMILESCCn1ccnc1-c1nc(Cl)ncc1F
InChIInChI=1S/C9H8ClFN4/c1-2-15-4-3-12-8(15)7-6(11)5-13-9(10)14-7/h3-5H,2H2,1H3
InChIKeyGVLGVTWQVQVWLZ-UHFFFAOYSA-N
XLogP2.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine (CID 79079543) is 2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine is CCn1ccnc1-c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine?
The InChIKey is GVLGVTWQVQVWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c1-2-15-4-3-12-8(15)7-6(11)5-13-9(10)14-7/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine?
2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine has a molecular weight of 226.64 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-ethylimidazol-2-yl)-5-fluoropyrimidine is sourced from PubChem (CID 79079543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).