2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine

C13H13BrN2O3 — CID 83140189

IUPAC2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(Oc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H13BrN2O3/c1-8-6-9(4-5-10(8)14)19-13-15-11(17-2)7-12(16-13)18-3/h4-7H,1-3H3
InChIKeyIHCKPHNYNGBLAM-UHFFFAOYSA-N
MW325.16 g/mol
LogP3.36
Rot. Bonds4

About 2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine

2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine (PubChem CID 83140189) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine
PubChem CID83140189
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(Oc2ccc(Br)c(C)c2)n1
InChIInChI=1S/C13H13BrN2O3/c1-8-6-9(4-5-10(8)14)19-13-15-11(17-2)7-12(16-13)18-3/h4-7H,1-3H3
InChIKeyIHCKPHNYNGBLAM-UHFFFAOYSA-N
XLogP3.36
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenoxy)-4,6-dimethoxypyrimidine
CID 113292889
[4-(4-bromo-3-methylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 83145198
4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline
CID 113292982
2-(4-bromo-3-methylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107555013
2-[4-(chloromethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 139084188
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidin-2-amine
CID 83135228
3-(4-bromo-3-methylphenoxy)-5-methylpyridazine
CID 106549380
2-(4-bromo-3-methylphenoxy)-5-methylpyridine
CID 83141020
4-(4-bromo-3-methylphenoxy)-6-methylpyrimidine
CID 81334328
4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 4615865
2-(4-bromo-3-methylphenoxy)-4-methoxyaniline
CID 83133415
[6-(4-bromo-3-methylphenoxy)-2-methyl-3-pyridinyl]methanamine
CID 83135138

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine?
The IUPAC name of 2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine (CID 83140189) is 2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine is COc1cc(OC)nc(Oc2ccc(Br)c(C)c2)n1.
What is the InChIKey of 2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine?
The InChIKey is IHCKPHNYNGBLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-8-6-9(4-5-10(8)14)19-13-15-11(17-2)7-12(16-13)18-3/h4-7H,1-3H3.
What are the key properties of 2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine?
2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine has a molecular weight of 325.16 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine is sourced from PubChem (CID 83140189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).