5-bromo-2-(1-phenylethoxy)pyrimidine

C12H11BrN2O — CID 63867238

IUPAC5-bromo-2-(1-phenylethoxy)pyrimidine
SMILESCC(Oc1ncc(Br)cn1)c1ccccc1
InChIInChI=1S/C12H11BrN2O/c1-9(10-5-3-2-4-6-10)16-12-14-7-11(13)8-15-12/h2-9H,1H3
InChIKeyORMUQEOUULAPIW-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.38
Rot. Bonds3

About 5-bromo-2-(1-phenylethoxy)pyrimidine

5-bromo-2-(1-phenylethoxy)pyrimidine (PubChem CID 63867238) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 5-bromo-2-(1-phenylethoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(1-phenylethoxy)pyrimidine
PubChem CID63867238
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name5-bromo-2-(1-phenylethoxy)pyrimidine
SMILESCC(Oc1ncc(Br)cn1)c1ccccc1
InChIInChI=1S/C12H11BrN2O/c1-9(10-5-3-2-4-6-10)16-12-14-7-11(13)8-15-12/h2-9H,1H3
InChIKeyORMUQEOUULAPIW-UHFFFAOYSA-N
XLogP3.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-phenylethoxy)pyrimidine?
The IUPAC name of 5-bromo-2-(1-phenylethoxy)pyrimidine (CID 63867238) is 5-bromo-2-(1-phenylethoxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-(1-phenylethoxy)pyrimidine?
The canonical SMILES for 5-bromo-2-(1-phenylethoxy)pyrimidine is CC(Oc1ncc(Br)cn1)c1ccccc1.
What is the InChIKey of 5-bromo-2-(1-phenylethoxy)pyrimidine?
The InChIKey is ORMUQEOUULAPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-9(10-5-3-2-4-6-10)16-12-14-7-11(13)8-15-12/h2-9H,1H3.
What are the key properties of 5-bromo-2-(1-phenylethoxy)pyrimidine?
5-bromo-2-(1-phenylethoxy)pyrimidine has a molecular weight of 279.14 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-phenylethoxy)pyrimidine is sourced from PubChem (CID 63867238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).