5-bromo-2-cyclopropyl-4-ethylpyrimidine

C9H11BrN2 — CID 82374760

IUPAC5-bromo-2-cyclopropyl-4-ethylpyrimidine
SMILESCCc1nc(C2CC2)ncc1Br
InChIInChI=1S/C9H11BrN2/c1-2-8-7(10)5-11-9(12-8)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyCFAUADVTNINKTF-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.68
Rot. Bonds2

About 5-bromo-2-cyclopropyl-4-ethylpyrimidine

5-bromo-2-cyclopropyl-4-ethylpyrimidine (PubChem CID 82374760) has the molecular formula C9H11BrN2 and a molecular weight of 227.10 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-4-ethylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-4-ethylpyrimidine
PubChem CID82374760
Molecular FormulaC9H11BrN2
Molecular Weight227.10 g/mol
Exact Mass226.01
IUPAC Name5-bromo-2-cyclopropyl-4-ethylpyrimidine
SMILESCCc1nc(C2CC2)ncc1Br
InChIInChI=1S/C9H11BrN2/c1-2-8-7(10)5-11-9(12-8)6-3-4-6/h5-6H,2-4H2,1H3
InChIKeyCFAUADVTNINKTF-UHFFFAOYSA-N
XLogP2.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-cyclopropyl-4-ethylpyrimidine 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-cyclopropyl-4-ethylpyrimidine?
The IUPAC name of 5-bromo-2-cyclopropyl-4-ethylpyrimidine (CID 82374760) is 5-bromo-2-cyclopropyl-4-ethylpyrimidine.
What is the SMILES notation for 5-bromo-2-cyclopropyl-4-ethylpyrimidine?
The canonical SMILES for 5-bromo-2-cyclopropyl-4-ethylpyrimidine is CCc1nc(C2CC2)ncc1Br.
What is the InChIKey of 5-bromo-2-cyclopropyl-4-ethylpyrimidine?
The InChIKey is CFAUADVTNINKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-2-8-7(10)5-11-9(12-8)6-3-4-6/h5-6H,2-4H2,1H3.
What are the key properties of 5-bromo-2-cyclopropyl-4-ethylpyrimidine?
5-bromo-2-cyclopropyl-4-ethylpyrimidine has a molecular weight of 227.10 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-4-ethylpyrimidine is sourced from PubChem (CID 82374760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).