2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine

C11H15BrN2O2 — CID 115355679

IUPAC2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(CC(Br)C2CC2)n1
InChIInChI=1S/C11H15BrN2O2/c1-15-10-6-11(16-2)14-9(13-10)5-8(12)7-3-4-7/h6-8H,3-5H2,1-2H3
InChIKeyASWXKLPBBNMAPS-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.21
Rot. Bonds5

About 2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine

2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine (PubChem CID 115355679) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine
PubChem CID115355679
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(CC(Br)C2CC2)n1
InChIInChI=1S/C11H15BrN2O2/c1-15-10-6-11(16-2)14-9(13-10)5-8(12)7-3-4-7/h6-8H,3-5H2,1-2H3
InChIKeyASWXKLPBBNMAPS-UHFFFAOYSA-N
XLogP2.21
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine 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 2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine?
The IUPAC name of 2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine (CID 115355679) is 2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine is COc1cc(OC)nc(CC(Br)C2CC2)n1.
What is the InChIKey of 2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine?
The InChIKey is ASWXKLPBBNMAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-15-10-6-11(16-2)14-9(13-10)5-8(12)7-3-4-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine?
2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine has a molecular weight of 287.16 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2-cyclopropylethyl)-4,6-dimethoxypyrimidine is sourced from PubChem (CID 115355679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).