4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine

C13H12ClFN2 — CID 116897024

IUPAC4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine
SMILESCc1cc(-c2cc(F)c(C)cc2Cl)nc(C)n1
InChIInChI=1S/C13H12ClFN2/c1-7-4-11(14)10(6-12(7)15)13-5-8(2)16-9(3)17-13/h4-6H,1-3H3
InChIKeyPHZXUQPJBBGCFK-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.86
Rot. Bonds1

About 4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine

4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine (PubChem CID 116897024) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine
PubChem CID116897024
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine
SMILESCc1cc(-c2cc(F)c(C)cc2Cl)nc(C)n1
InChIInChI=1S/C13H12ClFN2/c1-7-4-11(14)10(6-12(7)15)13-5-8(2)16-9(3)17-13/h4-6H,1-3H3
InChIKeyPHZXUQPJBBGCFK-UHFFFAOYSA-N
XLogP3.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine?
The IUPAC name of 4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine (CID 116897024) is 4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine?
The canonical SMILES for 4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine is Cc1cc(-c2cc(F)c(C)cc2Cl)nc(C)n1.
What is the InChIKey of 4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine?
The InChIKey is PHZXUQPJBBGCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-7-4-11(14)10(6-12(7)15)13-5-8(2)16-9(3)17-13/h4-6H,1-3H3.
What are the key properties of 4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine?
4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine has a molecular weight of 250.70 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoro-4-methylphenyl)-2,6-dimethylpyrimidine is sourced from PubChem (CID 116897024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).