4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine

C12H11BrN2O — CID 81334328

IUPAC4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
SMILESCc1cc(Oc2ccc(Br)c(C)c2)ncn1
InChIInChI=1S/C12H11BrN2O/c1-8-5-10(3-4-11(8)13)16-12-6-9(2)14-7-15-12/h3-7H,1-2H3
InChIKeyOAHZXLPWNMXJEZ-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.65
Rot. Bonds2

About 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine

4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine (PubChem CID 81334328) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
PubChem CID81334328
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
SMILESCc1cc(Oc2ccc(Br)c(C)c2)ncn1
InChIInChI=1S/C12H11BrN2O/c1-8-5-10(3-4-11(8)13)16-12-6-9(2)14-7-15-12/h3-7H,1-2H3
InChIKeyOAHZXLPWNMXJEZ-UHFFFAOYSA-N
XLogP3.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
CID 83135228
4-(6-methylpyrimidin-4-yl)oxyphenol
CID 61224161
2-(4-bromo-3-methylphenoxy)-5-methylpyridine
CID 83141020
2-(4-bromo-3-methylphenoxy)-5-chloropyridine
CID 83132873
[2-(4-bromo-3-methylphenoxy)-4-pyridinyl]methanamine
CID 83134094
2-(4-bromo-3-methylphenoxy)pyridine-4-carbonitrile
CID 83132770
2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 83133978
1-[4-(6-methylpyrimidin-4-yl)oxyphenyl]ethanamine
CID 16643300
3-(4-bromo-3-methylphenoxy)-5-methylpyridazine
CID 106549380
2-methoxy-4-(6-methylpyrimidin-4-yl)oxyaniline
CID 69194647
5-amino-2-(4-bromo-3-methylphenoxy)pyridine-4-carboxylic acid
CID 114090810
6-(4-bromo-3-methylphenoxy)pyrido[2,3-b]pyrazine
CID 81333354

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine?
The IUPAC name of 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine (CID 81334328) is 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine.
What is the SMILES notation for 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine?
The canonical SMILES for 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine is Cc1cc(Oc2ccc(Br)c(C)c2)ncn1.
What is the InChIKey of 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine?
The InChIKey is OAHZXLPWNMXJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-8-5-10(3-4-11(8)13)16-12-6-9(2)14-7-15-12/h3-7H,1-2H3.
What are the key properties of 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine?
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine has a molecular weight of 279.14 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine is sourced from PubChem (CID 81334328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).