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

C13H11Cl2FN2 — CID 80975131

IUPAC4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(-c2ccc(Cl)cc2F)n1
InChIInChI=1S/C13H11Cl2FN2/c1-3-11-17-12(7(2)13(15)18-11)9-5-4-8(14)6-10(9)16/h4-6H,3H2,1-2H3
InChIKeyMMMNPYWSUFFWPM-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.46
Rot. Bonds2

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

4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine (PubChem CID 80975131) has the molecular formula C13H11Cl2FN2 and a molecular weight of 285.15 g/mol. Its IUPAC name is 4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
PubChem CID80975131
Molecular FormulaC13H11Cl2FN2
Molecular Weight285.15 g/mol
Exact Mass284.03
IUPAC Name4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine
SMILESCCc1nc(Cl)c(C)c(-c2ccc(Cl)cc2F)n1
InChIInChI=1S/C13H11Cl2FN2/c1-3-11-17-12(7(2)13(15)18-11)9-5-4-8(14)6-10(9)16/h4-6H,3H2,1-2H3
InChIKeyMMMNPYWSUFFWPM-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-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine (CID 80975131) is 4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine is CCc1nc(Cl)c(C)c(-c2ccc(Cl)cc2F)n1.
What is the InChIKey of 4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine?
The InChIKey is MMMNPYWSUFFWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2/c1-3-11-17-12(7(2)13(15)18-11)9-5-4-8(14)6-10(9)16/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine?
4-chloro-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-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-6-(4-chloro-2-fluorophenyl)-2-ethyl-5-methylpyrimidine is sourced from PubChem (CID 80975131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).