4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine

C13H11Cl2FN2 — CID 62944331

IUPAC4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(-c2ccc(F)cc2Cl)nc1Cl
InChIInChI=1S/C13H11Cl2FN2/c1-3-9-7(2)17-13(18-12(9)15)10-5-4-8(16)6-11(10)14/h4-6H,3H2,1-2H3
InChIKeyOHZFDCZHEXSNOH-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.46
Rot. Bonds2

About 4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine

4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine (PubChem CID 62944331) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine
PubChem CID62944331
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(-c2ccc(F)cc2Cl)nc1Cl
InChIInChI=1S/C13H11Cl2FN2/c1-3-9-7(2)17-13(18-12(9)15)10-5-4-8(16)6-11(10)14/h4-6H,3H2,1-2H3
InChIKeyOHZFDCZHEXSNOH-UHFFFAOYSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.46
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-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine (CID 62944331) is 4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine is CCc1c(C)nc(-c2ccc(F)cc2Cl)nc1Cl.
What is the InChIKey of 4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine?
The InChIKey is OHZFDCZHEXSNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c1-3-9-7(2)17-13(18-12(9)15)10-5-4-8(16)6-11(10)14/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine?
4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine has a molecular weight of 285.15 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidine is sourced from PubChem (CID 62944331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).