4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine

C12H9Cl2FN2 — CID 80550252

IUPAC4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine
SMILESCCc1ccc(-c2nc(Cl)c(F)c(Cl)n2)cc1
InChIInChI=1S/C12H9Cl2FN2/c1-2-7-3-5-8(6-4-7)12-16-10(13)9(15)11(14)17-12/h3-6H,2H2,1H3
InChIKeyPGVRXGXHPZYOOH-UHFFFAOYSA-N
MW271.12 g/mol
LogP4.15
Rot. Bonds2

About 4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine

4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine (PubChem CID 80550252) has the molecular formula C12H9Cl2FN2 and a molecular weight of 271.12 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine
PubChem CID80550252
Molecular FormulaC12H9Cl2FN2
Molecular Weight271.12 g/mol
Exact Mass270.01
IUPAC Name4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine
SMILESCCc1ccc(-c2nc(Cl)c(F)c(Cl)n2)cc1
InChIInChI=1S/C12H9Cl2FN2/c1-2-7-3-5-8(6-4-7)12-16-10(13)9(15)11(14)17-12/h3-6H,2H2,1H3
InChIKeyPGVRXGXHPZYOOH-UHFFFAOYSA-N
XLogP4.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine (CID 80550252) is 4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine is CCc1ccc(-c2nc(Cl)c(F)c(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine?
The InChIKey is PGVRXGXHPZYOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2FN2/c1-2-7-3-5-8(6-4-7)12-16-10(13)9(15)11(14)17-12/h3-6H,2H2,1H3.
What are the key properties of 4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine?
4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine has a molecular weight of 271.12 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine is sourced from PubChem (CID 80550252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).