5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine

C8H10BrFN2 — CID 123222007

IUPAC5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine
SMILESCCC(F)c1ncnc(C)c1Br
InChIInChI=1S/C8H10BrFN2/c1-3-6(10)8-7(9)5(2)11-4-12-8/h4,6H,3H2,1-2H3
InChIKeyUDWMNDTZJAXDDA-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.97
Rot. Bonds2

About 5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine

5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine (PubChem CID 123222007) has the molecular formula C8H10BrFN2 and a molecular weight of 233.08 g/mol. Its IUPAC name is 5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine
PubChem CID123222007
Molecular FormulaC8H10BrFN2
Molecular Weight233.08 g/mol
Exact Mass232.00
IUPAC Name5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine
SMILESCCC(F)c1ncnc(C)c1Br
InChIInChI=1S/C8H10BrFN2/c1-3-6(10)8-7(9)5(2)11-4-12-8/h4,6H,3H2,1-2H3
InChIKeyUDWMNDTZJAXDDA-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine?
The IUPAC name of 5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine (CID 123222007) is 5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine.
What is the SMILES notation for 5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine?
The canonical SMILES for 5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine is CCC(F)c1ncnc(C)c1Br.
What is the InChIKey of 5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine?
The InChIKey is UDWMNDTZJAXDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrFN2/c1-3-6(10)8-7(9)5(2)11-4-12-8/h4,6H,3H2,1-2H3.
What are the key properties of 5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine?
5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine has a molecular weight of 233.08 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-fluoropropyl)-6-methylpyrimidine is sourced from PubChem (CID 123222007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).