5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine

C13H11BrClFN2 — CID 66292402

IUPAC5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(-c2cccc(F)c2)nc(Cl)c1Br
InChIInChI=1S/C13H11BrClFN2/c1-7(2)11-10(14)12(15)18-13(17-11)8-4-3-5-9(16)6-8/h3-7H,1-2H3
InChIKeyDOKAWRCRKILCHY-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.82
Rot. Bonds2

About 5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine

5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine (PubChem CID 66292402) has the molecular formula C13H11BrClFN2 and a molecular weight of 329.60 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine
PubChem CID66292402
Molecular FormulaC13H11BrClFN2
Molecular Weight329.60 g/mol
Exact Mass327.98
IUPAC Name5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1nc(-c2cccc(F)c2)nc(Cl)c1Br
InChIInChI=1S/C13H11BrClFN2/c1-7(2)11-10(14)12(15)18-13(17-11)8-4-3-5-9(16)6-8/h3-7H,1-2H3
InChIKeyDOKAWRCRKILCHY-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine (CID 66292402) is 5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine is CC(C)c1nc(-c2cccc(F)c2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine?
The InChIKey is DOKAWRCRKILCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2/c1-7(2)11-10(14)12(15)18-13(17-11)8-4-3-5-9(16)6-8/h3-7H,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine has a molecular weight of 329.60 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(3-fluorophenyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 66292402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).