2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine

C12H9BrClFN2 — CID 66426213

IUPAC2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine
SMILESCc1nc(-c2cc(F)cc(Br)c2)nc(Cl)c1C
InChIInChI=1S/C12H9BrClFN2/c1-6-7(2)16-12(17-11(6)14)8-3-9(13)5-10(15)4-8/h3-5H,1-2H3
InChIKeyXQDCKBVIDAPRFV-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.32
Rot. Bonds1

About 2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine

2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine (PubChem CID 66426213) has the molecular formula C12H9BrClFN2 and a molecular weight of 315.57 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine
PubChem CID66426213
Molecular FormulaC12H9BrClFN2
Molecular Weight315.57 g/mol
Exact Mass313.96
IUPAC Name2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine
SMILESCc1nc(-c2cc(F)cc(Br)c2)nc(Cl)c1C
InChIInChI=1S/C12H9BrClFN2/c1-6-7(2)16-12(17-11(6)14)8-3-9(13)5-10(15)4-8/h3-5H,1-2H3
InChIKeyXQDCKBVIDAPRFV-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine (CID 66426213) is 2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine is Cc1nc(-c2cc(F)cc(Br)c2)nc(Cl)c1C.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine?
The InChIKey is XQDCKBVIDAPRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2/c1-6-7(2)16-12(17-11(6)14)8-3-9(13)5-10(15)4-8/h3-5H,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine?
2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine has a molecular weight of 315.57 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-4-chloro-5,6-dimethylpyrimidine is sourced from PubChem (CID 66426213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).