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

C6H6ClFN2 — CID 147098429

IUPAC5-chloro-4-fluoro-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(Cl)c(F)n1
InChIInChI=1S/C6H6ClFN2/c1-3-5(7)6(8)10-4(2)9-3/h1-2H3
InChIKeyBKEKXPOPAMJBKF-UHFFFAOYSA-N
MW160.58 g/mol
LogP1.89
Rot. Bonds

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

5-chloro-4-fluoro-2,6-dimethylpyrimidine (PubChem CID 147098429) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-fluoro-2,6-dimethylpyrimidine
PubChem CID147098429
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name5-chloro-4-fluoro-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(Cl)c(F)n1
InChIInChI=1S/C6H6ClFN2/c1-3-5(7)6(8)10-4(2)9-3/h1-2H3
InChIKeyBKEKXPOPAMJBKF-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 5-chloro-4-fluoro-2,6-dimethylpyrimidine?
The IUPAC name of 5-chloro-4-fluoro-2,6-dimethylpyrimidine (CID 147098429) is 5-chloro-4-fluoro-2,6-dimethylpyrimidine.
What is the SMILES notation for 5-chloro-4-fluoro-2,6-dimethylpyrimidine?
The canonical SMILES for 5-chloro-4-fluoro-2,6-dimethylpyrimidine is Cc1nc(C)c(Cl)c(F)n1.
What is the InChIKey of 5-chloro-4-fluoro-2,6-dimethylpyrimidine?
The InChIKey is BKEKXPOPAMJBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c1-3-5(7)6(8)10-4(2)9-3/h1-2H3.
What are the key properties of 5-chloro-4-fluoro-2,6-dimethylpyrimidine?
5-chloro-4-fluoro-2,6-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 5-chloro-4-fluoro-2,6-dimethylpyrimidine is sourced from PubChem (CID 147098429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).