5-bromo-2-(4-fluorooxan-4-yl)pyrimidine

C9H10BrFN2O — CID 118141781

IUPAC5-bromo-2-(4-fluorooxan-4-yl)pyrimidine
SMILESFC1(c2ncc(Br)cn2)CCOCC1
InChIInChI=1S/C9H10BrFN2O/c10-7-5-12-8(13-6-7)9(11)1-3-14-4-2-9/h5-6H,1-4H2
InChIKeyJOTCQJHPQAVVNM-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.21
Rot. Bonds1

About 5-bromo-2-(4-fluorooxan-4-yl)pyrimidine

5-bromo-2-(4-fluorooxan-4-yl)pyrimidine (PubChem CID 118141781) has the molecular formula C9H10BrFN2O and a molecular weight of 261.09 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorooxan-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(4-fluorooxan-4-yl)pyrimidine
PubChem CID118141781
Molecular FormulaC9H10BrFN2O
Molecular Weight261.09 g/mol
Exact Mass260.00
IUPAC Name5-bromo-2-(4-fluorooxan-4-yl)pyrimidine
SMILESFC1(c2ncc(Br)cn2)CCOCC1
InChIInChI=1S/C9H10BrFN2O/c10-7-5-12-8(13-6-7)9(11)1-3-14-4-2-9/h5-6H,1-4H2
InChIKeyJOTCQJHPQAVVNM-UHFFFAOYSA-N
XLogP2.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorooxan-4-yl)pyrimidine?
The IUPAC name of 5-bromo-2-(4-fluorooxan-4-yl)pyrimidine (CID 118141781) is 5-bromo-2-(4-fluorooxan-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(4-fluorooxan-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-(4-fluorooxan-4-yl)pyrimidine is FC1(c2ncc(Br)cn2)CCOCC1.
What is the InChIKey of 5-bromo-2-(4-fluorooxan-4-yl)pyrimidine?
The InChIKey is JOTCQJHPQAVVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O/c10-7-5-12-8(13-6-7)9(11)1-3-14-4-2-9/h5-6H,1-4H2.
What are the key properties of 5-bromo-2-(4-fluorooxan-4-yl)pyrimidine?
5-bromo-2-(4-fluorooxan-4-yl)pyrimidine has a molecular weight of 261.09 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorooxan-4-yl)pyrimidine is sourced from PubChem (CID 118141781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).