5-bromo-4-phenylmethoxypyrimidine

C11H9BrN2O — CID 59583472

IUPAC5-bromo-4-phenylmethoxypyrimidine
SMILESBrc1cncnc1OCc1ccccc1
InChIInChI=1S/C11H9BrN2O/c12-10-6-13-8-14-11(10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyYGEVRYVDWYTABG-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.82
Rot. Bonds3

About 5-bromo-4-phenylmethoxypyrimidine

5-bromo-4-phenylmethoxypyrimidine (PubChem CID 59583472) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-bromo-4-phenylmethoxypyrimidine.

Molecular Properties

Compound Name5-bromo-4-phenylmethoxypyrimidine
PubChem CID59583472
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name5-bromo-4-phenylmethoxypyrimidine
SMILESBrc1cncnc1OCc1ccccc1
InChIInChI=1S/C11H9BrN2O/c12-10-6-13-8-14-11(10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2
InChIKeyYGEVRYVDWYTABG-UHFFFAOYSA-N
XLogP2.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-phenylmethoxypyrimidine?
The IUPAC name of 5-bromo-4-phenylmethoxypyrimidine (CID 59583472) is 5-bromo-4-phenylmethoxypyrimidine.
What is the SMILES notation for 5-bromo-4-phenylmethoxypyrimidine?
The canonical SMILES for 5-bromo-4-phenylmethoxypyrimidine is Brc1cncnc1OCc1ccccc1.
What is the InChIKey of 5-bromo-4-phenylmethoxypyrimidine?
The InChIKey is YGEVRYVDWYTABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-10-6-13-8-14-11(10)15-7-9-4-2-1-3-5-9/h1-6,8H,7H2.
What are the key properties of 5-bromo-4-phenylmethoxypyrimidine?
5-bromo-4-phenylmethoxypyrimidine has a molecular weight of 265.11 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-phenylmethoxypyrimidine is sourced from PubChem (CID 59583472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).