5-bromo-4-(2-methylpentoxy)pyrimidine

C10H15BrN2O — CID 103284587

IUPAC5-bromo-4-(2-methylpentoxy)pyrimidine
SMILESCCCC(C)COc1ncncc1Br
InChIInChI=1S/C10H15BrN2O/c1-3-4-8(2)6-14-10-9(11)5-12-7-13-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyPTUMNDUEJGRART-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.05
Rot. Bonds5

About 5-bromo-4-(2-methylpentoxy)pyrimidine

5-bromo-4-(2-methylpentoxy)pyrimidine (PubChem CID 103284587) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 5-bromo-4-(2-methylpentoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(2-methylpentoxy)pyrimidine
PubChem CID103284587
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name5-bromo-4-(2-methylpentoxy)pyrimidine
SMILESCCCC(C)COc1ncncc1Br
InChIInChI=1S/C10H15BrN2O/c1-3-4-8(2)6-14-10-9(11)5-12-7-13-10/h5,7-8H,3-4,6H2,1-2H3
InChIKeyPTUMNDUEJGRART-UHFFFAOYSA-N
XLogP3.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-methylpentoxy)pyrimidine?
The IUPAC name of 5-bromo-4-(2-methylpentoxy)pyrimidine (CID 103284587) is 5-bromo-4-(2-methylpentoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-(2-methylpentoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-(2-methylpentoxy)pyrimidine is CCCC(C)COc1ncncc1Br.
What is the InChIKey of 5-bromo-4-(2-methylpentoxy)pyrimidine?
The InChIKey is PTUMNDUEJGRART-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-3-4-8(2)6-14-10-9(11)5-12-7-13-10/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 5-bromo-4-(2-methylpentoxy)pyrimidine?
5-bromo-4-(2-methylpentoxy)pyrimidine has a molecular weight of 259.15 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-methylpentoxy)pyrimidine is sourced from PubChem (CID 103284587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).