4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine

C15H9Cl2FN2S — CID 79432172

IUPAC4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine
SMILESCc1ccsc1-c1nc(Cl)c(-c2cccc(F)c2)c(Cl)n1
InChIInChI=1S/C15H9Cl2FN2S/c1-8-5-6-21-12(8)15-19-13(16)11(14(17)20-15)9-3-2-4-10(18)7-9/h2-7H,1H3
InChIKeyBYBQXNUWVXNGSG-UHFFFAOYSA-N
MW339.22 g/mol
LogP5.63
Rot. Bonds2

About 4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine

4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine (PubChem CID 79432172) has the molecular formula C15H9Cl2FN2S and a molecular weight of 339.22 g/mol. Its IUPAC name is 4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine
PubChem CID79432172
Molecular FormulaC15H9Cl2FN2S
Molecular Weight339.22 g/mol
Exact Mass337.98
IUPAC Name4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine
SMILESCc1ccsc1-c1nc(Cl)c(-c2cccc(F)c2)c(Cl)n1
InChIInChI=1S/C15H9Cl2FN2S/c1-8-5-6-21-12(8)15-19-13(16)11(14(17)20-15)9-3-2-4-10(18)7-9/h2-7H,1H3
InChIKeyBYBQXNUWVXNGSG-UHFFFAOYSA-N
XLogP5.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.22
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine (CID 79432172) is 4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine is Cc1ccsc1-c1nc(Cl)c(-c2cccc(F)c2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine?
The InChIKey is BYBQXNUWVXNGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2S/c1-8-5-6-21-12(8)15-19-13(16)11(14(17)20-15)9-3-2-4-10(18)7-9/h2-7H,1H3.
What are the key properties of 4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine?
4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine has a molecular weight of 339.22 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(3-fluorophenyl)-2-(3-methylthiophen-2-yl)pyrimidine is sourced from PubChem (CID 79432172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).