4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine

C9H13BrN2O2 — CID 66320835

IUPAC4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine
SMILESCOCC(Br)Cc1cc(OC)ncn1
InChIInChI=1S/C9H13BrN2O2/c1-13-5-7(10)3-8-4-9(14-2)12-6-11-8/h4,6-7H,3,5H2,1-2H3
InChIKeyWHORIXFEEJGGDF-UHFFFAOYSA-N
MW261.12 g/mol
LogP1.44
Rot. Bonds5

About 4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine

4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine (PubChem CID 66320835) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine
PubChem CID66320835
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine
SMILESCOCC(Br)Cc1cc(OC)ncn1
InChIInChI=1S/C9H13BrN2O2/c1-13-5-7(10)3-8-4-9(14-2)12-6-11-8/h4,6-7H,3,5H2,1-2H3
InChIKeyWHORIXFEEJGGDF-UHFFFAOYSA-N
XLogP1.44
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine?
The IUPAC name of 4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine (CID 66320835) is 4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine.
What is the SMILES notation for 4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine?
The canonical SMILES for 4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine is COCC(Br)Cc1cc(OC)ncn1.
What is the InChIKey of 4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine?
The InChIKey is WHORIXFEEJGGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O2/c1-13-5-7(10)3-8-4-9(14-2)12-6-11-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine?
4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine has a molecular weight of 261.12 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-methoxypropyl)-6-methoxypyrimidine is sourced from PubChem (CID 66320835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).