4-(bromomethyl)pyrimidine

C5H5BrN2 — CID 642819

IUPAC4-(bromomethyl)pyrimidine
SMILESBrCc1ccncn1
InChIInChI=1S/C5H5BrN2/c6-3-5-1-2-7-4-8-5/h1-2,4H,3H2
InChIKeyOKLBYPMDIRXALH-UHFFFAOYSA-N
MW173.01 g/mol
LogP1.37
Rot. Bonds1

About 4-(bromomethyl)pyrimidine

4-(bromomethyl)pyrimidine (PubChem CID 642819) has the molecular formula C5H5BrN2 and a molecular weight of 173.01 g/mol. Its IUPAC name is 4-(bromomethyl)pyrimidine.

Molecular Properties

Compound Name4-(bromomethyl)pyrimidine
PubChem CID642819
Molecular FormulaC5H5BrN2
Molecular Weight173.01 g/mol
Exact Mass171.96
IUPAC Name4-(bromomethyl)pyrimidine
SMILESBrCc1ccncn1
InChIInChI=1S/C5H5BrN2/c6-3-5-1-2-7-4-8-5/h1-2,4H,3H2
InChIKeyOKLBYPMDIRXALH-UHFFFAOYSA-N
XLogP1.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.01
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4-methylpyrimidine
CID 7939
4-Methylpyrimidine
CID 18922
2-Amino-4-(trifluoromethyl)pyrimidine
CID 595915
Pyrimidine-4-carbonitrile
CID 10313094
4-Methyl-2-(methylsulfanyl)pyrimidine
CID 821261
5-Bromo-4-methylpyrimidin-2-amine
CID 18616196
2-Chloro-4-(trifluoromethyl)pyrimidine
CID 2773912
2-Bromo-4-(trifluoromethyl)pyrimidine
CID 11436086
2-Chloro-4-methylpyrimidine
CID 11629607
2-Fluoro-4-methylpyrimidine
CID 17804394
2-Chloro-4-ethenylpyrimidine
CID 45080173
Pyrimidin-4-ylmethylphosphonic acid
CID 53363091

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)pyrimidine?
The IUPAC name of 4-(bromomethyl)pyrimidine (CID 642819) is 4-(bromomethyl)pyrimidine.
What is the SMILES notation for 4-(bromomethyl)pyrimidine?
The canonical SMILES for 4-(bromomethyl)pyrimidine is BrCc1ccncn1.
What is the InChIKey of 4-(bromomethyl)pyrimidine?
The InChIKey is OKLBYPMDIRXALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2/c6-3-5-1-2-7-4-8-5/h1-2,4H,3H2.
What are the key properties of 4-(bromomethyl)pyrimidine?
4-(bromomethyl)pyrimidine has a molecular weight of 173.01 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)pyrimidine is sourced from PubChem (CID 642819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).