2-(bromomethyl)-4-methoxypyrimidine

C6H7BrN2O — CID 52987907

IUPAC2-(bromomethyl)-4-methoxypyrimidine
SMILESCOc1ccnc(CBr)n1
InChIInChI=1S/C6H7BrN2O/c1-10-6-2-3-8-5(4-7)9-6/h2-3H,4H2,1H3
InChIKeyAIFCNARTBBADHK-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.38
Rot. Bonds2

About 2-(bromomethyl)-4-methoxypyrimidine

2-(bromomethyl)-4-methoxypyrimidine (PubChem CID 52987907) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 2-(bromomethyl)-4-methoxypyrimidine.

Molecular Properties

Compound Name2-(bromomethyl)-4-methoxypyrimidine
PubChem CID52987907
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name2-(bromomethyl)-4-methoxypyrimidine
SMILESCOc1ccnc(CBr)n1
InChIInChI=1S/C6H7BrN2O/c1-10-6-2-3-8-5(4-7)9-6/h2-3H,4H2,1H3
InChIKeyAIFCNARTBBADHK-UHFFFAOYSA-N
XLogP1.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(bromomethyl)-4-methoxypyrimidine?
The IUPAC name of 2-(bromomethyl)-4-methoxypyrimidine (CID 52987907) is 2-(bromomethyl)-4-methoxypyrimidine.
What is the SMILES notation for 2-(bromomethyl)-4-methoxypyrimidine?
The canonical SMILES for 2-(bromomethyl)-4-methoxypyrimidine is COc1ccnc(CBr)n1.
What is the InChIKey of 2-(bromomethyl)-4-methoxypyrimidine?
The InChIKey is AIFCNARTBBADHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-10-6-2-3-8-5(4-7)9-6/h2-3H,4H2,1H3.
What are the key properties of 2-(bromomethyl)-4-methoxypyrimidine?
2-(bromomethyl)-4-methoxypyrimidine has a molecular weight of 203.04 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-methoxypyrimidine is sourced from PubChem (CID 52987907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).