5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine

C7H7BrClFN2 — CID 54427541

IUPAC5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine
SMILESCC(C)(F)c1ncnc(Cl)c1Br
InChIInChI=1S/C7H7BrClFN2/c1-7(2,10)5-4(8)6(9)12-3-11-5/h3H,1-2H3
InChIKeyWFEJBODPMXFSDB-UHFFFAOYSA-N
MW253.50 g/mol
LogP3.10
Rot. Bonds1

About 5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine

5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine (PubChem CID 54427541) has the molecular formula C7H7BrClFN2 and a molecular weight of 253.50 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine
PubChem CID54427541
Molecular FormulaC7H7BrClFN2
Molecular Weight253.50 g/mol
Exact Mass251.95
IUPAC Name5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine
SMILESCC(C)(F)c1ncnc(Cl)c1Br
InChIInChI=1S/C7H7BrClFN2/c1-7(2,10)5-4(8)6(9)12-3-11-5/h3H,1-2H3
InChIKeyWFEJBODPMXFSDB-UHFFFAOYSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine (CID 54427541) is 5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine is CC(C)(F)c1ncnc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine?
The InChIKey is WFEJBODPMXFSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClFN2/c1-7(2,10)5-4(8)6(9)12-3-11-5/h3H,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine?
5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine has a molecular weight of 253.50 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-(2-fluoropropan-2-yl)pyrimidine is sourced from PubChem (CID 54427541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).