5-(2-bromoethyl)-2-methylpyrimidine

C7H9BrN2 — CID 66911720

IUPAC5-(2-bromoethyl)-2-methylpyrimidine
SMILESCc1ncc(CCBr)cn1
InChIInChI=1S/C7H9BrN2/c1-6-9-4-7(2-3-8)5-10-6/h4-5H,2-3H2,1H3
InChIKeySDEUMBFSJZPXCM-UHFFFAOYSA-N
MW201.07 g/mol
LogP1.72
Rot. Bonds2

About 5-(2-bromoethyl)-2-methylpyrimidine

5-(2-bromoethyl)-2-methylpyrimidine (PubChem CID 66911720) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 5-(2-bromoethyl)-2-methylpyrimidine.

Molecular Properties

Compound Name5-(2-bromoethyl)-2-methylpyrimidine
PubChem CID66911720
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name5-(2-bromoethyl)-2-methylpyrimidine
SMILESCc1ncc(CCBr)cn1
InChIInChI=1S/C7H9BrN2/c1-6-9-4-7(2-3-8)5-10-6/h4-5H,2-3H2,1H3
InChIKeySDEUMBFSJZPXCM-UHFFFAOYSA-N
XLogP1.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethyl)-2-methylpyrimidine?
The IUPAC name of 5-(2-bromoethyl)-2-methylpyrimidine (CID 66911720) is 5-(2-bromoethyl)-2-methylpyrimidine.
What is the SMILES notation for 5-(2-bromoethyl)-2-methylpyrimidine?
The canonical SMILES for 5-(2-bromoethyl)-2-methylpyrimidine is Cc1ncc(CCBr)cn1.
What is the InChIKey of 5-(2-bromoethyl)-2-methylpyrimidine?
The InChIKey is SDEUMBFSJZPXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c1-6-9-4-7(2-3-8)5-10-6/h4-5H,2-3H2,1H3.
What are the key properties of 5-(2-bromoethyl)-2-methylpyrimidine?
5-(2-bromoethyl)-2-methylpyrimidine has a molecular weight of 201.07 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethyl)-2-methylpyrimidine is sourced from PubChem (CID 66911720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).