4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine

C10H10ClFN4 — CID 66132771

IUPAC4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine
SMILESCCn1cncc1-c1nc(C)c(F)c(Cl)n1
InChIInChI=1S/C10H10ClFN4/c1-3-16-5-13-4-7(16)10-14-6(2)8(12)9(11)15-10/h4-5H,3H2,1-2H3
InChIKeyVSCQOPICZAVPIJ-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.46
Rot. Bonds2

About 4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine

4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine (PubChem CID 66132771) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is 4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine
PubChem CID66132771
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC Name4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine
SMILESCCn1cncc1-c1nc(C)c(F)c(Cl)n1
InChIInChI=1S/C10H10ClFN4/c1-3-16-5-13-4-7(16)10-14-6(2)8(12)9(11)15-10/h4-5H,3H2,1-2H3
InChIKeyVSCQOPICZAVPIJ-UHFFFAOYSA-N
XLogP2.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine (CID 66132771) is 4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine is CCn1cncc1-c1nc(C)c(F)c(Cl)n1.
What is the InChIKey of 4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine?
The InChIKey is VSCQOPICZAVPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4/c1-3-16-5-13-4-7(16)10-14-6(2)8(12)9(11)15-10/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine?
4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine has a molecular weight of 240.67 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethylimidazol-4-yl)-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 66132771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).