4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine

C12H10ClFN2 — CID 82168905

IUPAC4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine
SMILESCc1nc(-c2ccccc2F)nc(Cl)c1C
InChIInChI=1S/C12H10ClFN2/c1-7-8(2)15-12(16-11(7)13)9-5-3-4-6-10(9)14/h3-6H,1-2H3
InChIKeyZSELKROXFKSOFP-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.55
Rot. Bonds1

About 4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine

4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine (PubChem CID 82168905) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine
PubChem CID82168905
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine
SMILESCc1nc(-c2ccccc2F)nc(Cl)c1C
InChIInChI=1S/C12H10ClFN2/c1-7-8(2)15-12(16-11(7)13)9-5-3-4-6-10(9)14/h3-6H,1-2H3
InChIKeyZSELKROXFKSOFP-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine?
The IUPAC name of 4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine (CID 82168905) is 4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine?
The canonical SMILES for 4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine is Cc1nc(-c2ccccc2F)nc(Cl)c1C.
What is the InChIKey of 4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine?
The InChIKey is ZSELKROXFKSOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c1-7-8(2)15-12(16-11(7)13)9-5-3-4-6-10(9)14/h3-6H,1-2H3.
What are the key properties of 4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine?
4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine has a molecular weight of 236.68 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine is sourced from PubChem (CID 82168905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).