5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine

C8H8BrFN2O — CID 172531840

IUPAC5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine
SMILESCc1nc(C2(F)COC2)ncc1Br
InChIInChI=1S/C8H8BrFN2O/c1-5-6(9)2-11-7(12-5)8(10)3-13-4-8/h2H,3-4H2,1H3
InChIKeyIUNSGMNFZBFYIP-UHFFFAOYSA-N
MW247.07 g/mol
LogP1.74
Rot. Bonds1

About 5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine

5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine (PubChem CID 172531840) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is 5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine
PubChem CID172531840
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine
SMILESCc1nc(C2(F)COC2)ncc1Br
InChIInChI=1S/C8H8BrFN2O/c1-5-6(9)2-11-7(12-5)8(10)3-13-4-8/h2H,3-4H2,1H3
InChIKeyIUNSGMNFZBFYIP-UHFFFAOYSA-N
XLogP1.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine?
The IUPAC name of 5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine (CID 172531840) is 5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine.
What is the SMILES notation for 5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine?
The canonical SMILES for 5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine is Cc1nc(C2(F)COC2)ncc1Br.
What is the InChIKey of 5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine?
The InChIKey is IUNSGMNFZBFYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c1-5-6(9)2-11-7(12-5)8(10)3-13-4-8/h2H,3-4H2,1H3.
What are the key properties of 5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine?
5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine has a molecular weight of 247.07 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluorooxetan-3-yl)-4-methylpyrimidine is sourced from PubChem (CID 172531840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).