5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine

C8H8BrClN2 — CID 66294688

IUPAC5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine
SMILESCC1CC1c1ncc(Br)c(Cl)n1
InChIInChI=1S/C8H8BrClN2/c1-4-2-5(4)8-11-3-6(9)7(10)12-8/h3-5H,2H2,1H3
InChIKeyAPDAJKZGBUWGQA-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.02
Rot. Bonds1

About 5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine

5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine (PubChem CID 66294688) has the molecular formula C8H8BrClN2 and a molecular weight of 247.52 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine
PubChem CID66294688
Molecular FormulaC8H8BrClN2
Molecular Weight247.52 g/mol
Exact Mass245.96
IUPAC Name5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine
SMILESCC1CC1c1ncc(Br)c(Cl)n1
InChIInChI=1S/C8H8BrClN2/c1-4-2-5(4)8-11-3-6(9)7(10)12-8/h3-5H,2H2,1H3
InChIKeyAPDAJKZGBUWGQA-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.02
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-2-(2-methylcyclopropyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine (CID 66294688) is 5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine is CC1CC1c1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine?
The InChIKey is APDAJKZGBUWGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2/c1-4-2-5(4)8-11-3-6(9)7(10)12-8/h3-5H,2H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine?
5-bromo-4-chloro-2-(2-methylcyclopropyl)pyrimidine has a molecular weight of 247.52 g/mol, XLogP of 3.02, 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-2-(2-methylcyclopropyl)pyrimidine is sourced from PubChem (CID 66294688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).