4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine

C13H13BrN2O2 — CID 91636356

IUPAC4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine
SMILESCOc1ccc(COc2cc(Br)nc(C)n2)cc1
InChIInChI=1S/C13H13BrN2O2/c1-9-15-12(14)7-13(16-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3
InChIKeyMNYMSPIKWORYPH-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.14
Rot. Bonds4

About 4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine

4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine (PubChem CID 91636356) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine
PubChem CID91636356
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine
SMILESCOc1ccc(COc2cc(Br)nc(C)n2)cc1
InChIInChI=1S/C13H13BrN2O2/c1-9-15-12(14)7-13(16-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3
InChIKeyMNYMSPIKWORYPH-UHFFFAOYSA-N
XLogP3.14
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine?
The IUPAC name of 4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine (CID 91636356) is 4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine.
What is the SMILES notation for 4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine?
The canonical SMILES for 4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine is COc1ccc(COc2cc(Br)nc(C)n2)cc1.
What is the InChIKey of 4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine?
The InChIKey is MNYMSPIKWORYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-9-15-12(14)7-13(16-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3.
What are the key properties of 4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine?
4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine has a molecular weight of 309.16 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine is sourced from PubChem (CID 91636356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).