4-chloro-6-fluoro-2,5-dimethylpyrimidine

C6H6ClFN2 — CID 164525965

IUPAC4-chloro-6-fluoro-2,5-dimethylpyrimidine
SMILESCc1nc(F)c(C)c(Cl)n1
InChIInChI=1S/C6H6ClFN2/c1-3-5(7)9-4(2)10-6(3)8/h1-2H3
InChIKeyVSGRIJMDHUJTNR-UHFFFAOYSA-N
MW160.58 g/mol
LogP1.89
Rot. Bonds

About 4-chloro-6-fluoro-2,5-dimethylpyrimidine

4-chloro-6-fluoro-2,5-dimethylpyrimidine (PubChem CID 164525965) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is 4-chloro-6-fluoro-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-fluoro-2,5-dimethylpyrimidine
PubChem CID164525965
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name4-chloro-6-fluoro-2,5-dimethylpyrimidine
SMILESCc1nc(F)c(C)c(Cl)n1
InChIInChI=1S/C6H6ClFN2/c1-3-5(7)9-4(2)10-6(3)8/h1-2H3
InChIKeyVSGRIJMDHUJTNR-UHFFFAOYSA-N
XLogP1.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-fluoro-2,5-dimethylpyrimidine (CID 164525965) is 4-chloro-6-fluoro-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-fluoro-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-fluoro-2,5-dimethylpyrimidine is Cc1nc(F)c(C)c(Cl)n1.
What is the InChIKey of 4-chloro-6-fluoro-2,5-dimethylpyrimidine?
The InChIKey is VSGRIJMDHUJTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c1-3-5(7)9-4(2)10-6(3)8/h1-2H3.
What are the key properties of 4-chloro-6-fluoro-2,5-dimethylpyrimidine?
4-chloro-6-fluoro-2,5-dimethylpyrimidine has a molecular weight of 160.58 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-2,5-dimethylpyrimidine is sourced from PubChem (CID 164525965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).