(5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone

C9H8BrF2N3O — CID 142620948

IUPAC(5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESCc1ncc(Br)c(C(=O)N2CC(F)(F)C2)n1
InChIInChI=1S/C9H8BrF2N3O/c1-5-13-2-6(10)7(14-5)8(16)15-3-9(11,12)4-15/h2H,3-4H2,1H3
InChIKeyKQJKTKAPKQQULU-UHFFFAOYSA-N
MW292.08 g/mol
LogP1.64
Rot. Bonds1

About (5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone

(5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 142620948) has the molecular formula C9H8BrF2N3O and a molecular weight of 292.08 g/mol. Its IUPAC name is (5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone
PubChem CID142620948
Molecular FormulaC9H8BrF2N3O
Molecular Weight292.08 g/mol
Exact Mass290.98
IUPAC Name(5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESCc1ncc(Br)c(C(=O)N2CC(F)(F)C2)n1
InChIInChI=1S/C9H8BrF2N3O/c1-5-13-2-6(10)7(14-5)8(16)15-3-9(11,12)4-15/h2H,3-4H2,1H3
InChIKeyKQJKTKAPKQQULU-UHFFFAOYSA-N
XLogP1.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The IUPAC name of (5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone (CID 142620948) is (5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone.
What is the SMILES notation for (5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The canonical SMILES for (5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone is Cc1ncc(Br)c(C(=O)N2CC(F)(F)C2)n1.
What is the InChIKey of (5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The InChIKey is KQJKTKAPKQQULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N3O/c1-5-13-2-6(10)7(14-5)8(16)15-3-9(11,12)4-15/h2H,3-4H2,1H3.
What are the key properties of (5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone?
(5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 292.08 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylpyrimidin-4-yl)-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 142620948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).