2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine

C12H11BrN2O2 — CID 104707648

IUPAC2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
SMILESCOc1ccc(Oc2nccc(C)n2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2/c1-8-5-6-14-12(15-8)17-11-4-3-9(16-2)7-10(11)13/h3-7H,1-2H3
InChIKeyDUHRAFJKUVRZBZ-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.35
Rot. Bonds3

About 2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine

2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine (PubChem CID 104707648) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
PubChem CID104707648
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine
SMILESCOc1ccc(Oc2nccc(C)n2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2/c1-8-5-6-14-12(15-8)17-11-4-3-9(16-2)7-10(11)13/h3-7H,1-2H3
InChIKeyDUHRAFJKUVRZBZ-UHFFFAOYSA-N
XLogP3.35
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-methoxyphenoxy)pyrimidin-4-amine
CID 116798025
2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile
CID 107546049
2-(4-bromophenoxy)-4-methylpyrimidine
CID 62958719
4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 104707588
4-bromo-3-(4-methylpyrimidin-2-yl)oxybenzoic acid
CID 114103616
4-methyl-2-(4-methylphenoxy)pyrimidine
CID 155309034
[2-(2-bromo-4-methoxyphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 104706374
4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 104708820
[4-(2-bromo-4-methoxyphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 104708873
2-(4-iodophenoxy)-4-methylpyrimidine
CID 62958901
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
2-[2-(2-bromo-4-methoxyphenoxy)pyrimidin-5-yl]ethanamine
CID 104708629

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine (CID 104707648) is 2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine is COc1ccc(Oc2nccc(C)n2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine?
The InChIKey is DUHRAFJKUVRZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-5-6-14-12(15-8)17-11-4-3-9(16-2)7-10(11)13/h3-7H,1-2H3.
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine?
2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine has a molecular weight of 295.14 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-4-methylpyrimidine is sourced from PubChem (CID 104707648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).