5-bromo-2-(2-fluoropropan-2-yl)pyrimidine

C7H8BrFN2 — CID 118138846

IUPAC5-bromo-2-(2-fluoropropan-2-yl)pyrimidine
SMILESCC(C)(F)c1ncc(Br)cn1
InChIInChI=1S/C7H8BrFN2/c1-7(2,9)6-10-3-5(8)4-11-6/h3-4H,1-2H3
InChIKeySVJVGJNPKWZAMI-UHFFFAOYSA-N
MW219.06 g/mol
LogP2.44
Rot. Bonds1

About 5-bromo-2-(2-fluoropropan-2-yl)pyrimidine

5-bromo-2-(2-fluoropropan-2-yl)pyrimidine (PubChem CID 118138846) has the molecular formula C7H8BrFN2 and a molecular weight of 219.06 g/mol. Its IUPAC name is 5-bromo-2-(2-fluoropropan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(2-fluoropropan-2-yl)pyrimidine
PubChem CID118138846
Molecular FormulaC7H8BrFN2
Molecular Weight219.06 g/mol
Exact Mass217.99
IUPAC Name5-bromo-2-(2-fluoropropan-2-yl)pyrimidine
SMILESCC(C)(F)c1ncc(Br)cn1
InChIInChI=1S/C7H8BrFN2/c1-7(2,9)6-10-3-5(8)4-11-6/h3-4H,1-2H3
InChIKeySVJVGJNPKWZAMI-UHFFFAOYSA-N
XLogP2.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(2-fluoropropan-2-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-fluoropropan-2-yl)pyrimidine?
The IUPAC name of 5-bromo-2-(2-fluoropropan-2-yl)pyrimidine (CID 118138846) is 5-bromo-2-(2-fluoropropan-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(2-fluoropropan-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-(2-fluoropropan-2-yl)pyrimidine is CC(C)(F)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-(2-fluoropropan-2-yl)pyrimidine?
The InChIKey is SVJVGJNPKWZAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2/c1-7(2,9)6-10-3-5(8)4-11-6/h3-4H,1-2H3.
What are the key properties of 5-bromo-2-(2-fluoropropan-2-yl)pyrimidine?
5-bromo-2-(2-fluoropropan-2-yl)pyrimidine has a molecular weight of 219.06 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-fluoropropan-2-yl)pyrimidine is sourced from PubChem (CID 118138846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).