4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine

C8H10BrFN2 — CID 153456598

IUPAC4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine
SMILESCc1c(Br)nc(F)nc1C(C)C
InChIInChI=1S/C8H10BrFN2/c1-4(2)6-5(3)7(9)12-8(10)11-6/h4H,1-3H3
InChIKeyLIUOBAIHJWFEBT-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.81
Rot. Bonds1

About 4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine

4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine (PubChem CID 153456598) has the molecular formula C8H10BrFN2 and a molecular weight of 233.08 g/mol. Its IUPAC name is 4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine
PubChem CID153456598
Molecular FormulaC8H10BrFN2
Molecular Weight233.08 g/mol
Exact Mass232.00
IUPAC Name4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine
SMILESCc1c(Br)nc(F)nc1C(C)C
InChIInChI=1S/C8H10BrFN2/c1-4(2)6-5(3)7(9)12-8(10)11-6/h4H,1-3H3
InChIKeyLIUOBAIHJWFEBT-UHFFFAOYSA-N
XLogP2.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine?
The IUPAC name of 4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine (CID 153456598) is 4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine is Cc1c(Br)nc(F)nc1C(C)C.
What is the InChIKey of 4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine?
The InChIKey is LIUOBAIHJWFEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2/c1-4(2)6-5(3)7(9)12-8(10)11-6/h4H,1-3H3.
What are the key properties of 4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine?
4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine has a molecular weight of 233.08 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-5-methyl-6-propan-2-ylpyrimidine is sourced from PubChem (CID 153456598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).