2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine

C14H15BrN2O3 — CID 156575358

IUPAC2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(OCc2cccc(Br)c2C)n1
InChIInChI=1S/C14H15BrN2O3/c1-9-10(5-4-6-11(9)15)8-20-14-16-12(18-2)7-13(17-14)19-3/h4-7H,8H2,1-3H3
InChIKeyOQIWIIVSVOFNAT-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.14
Rot. Bonds5

About 2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine

2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine (PubChem CID 156575358) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine
PubChem CID156575358
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(OCc2cccc(Br)c2C)n1
InChIInChI=1S/C14H15BrN2O3/c1-9-10(5-4-6-11(9)15)8-20-14-16-12(18-2)7-13(17-14)19-3/h4-7H,8H2,1-3H3
InChIKeyOQIWIIVSVOFNAT-UHFFFAOYSA-N
XLogP3.14
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethoxy-2-phenylmethoxypyrimidine
CID 19977712
6-[(3-bromo-2-methylphenyl)methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 135360778
N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691839
1-bromo-2-methyl-3-(propoxymethyl)benzene
CID 70271929
5-bromo-1,3-dimethoxyisoquinoline
CID 67310160
2-[(2-bromophenyl)methoxy]-4,6-dichloro-1,3,5-triazine
CID 82823763
1-bromo-3-[(4-methoxyphenyl)methoxymethyl]-2-methylbenzene;1,4-dioxane
CID 159917178
4-[(2-bromophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 82808235
4-[(3-bromo-2-methylphenyl)methoxy]-3-chlorobenzaldehyde
CID 155818963
3-[(2-bromo-4-methoxyphenoxy)methyl]-2-methylaniline
CID 104706661
2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine
CID 83140189
1-bromo-2-methyl-3-propylbenzene
CID 143344358

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine?
The IUPAC name of 2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine (CID 156575358) is 2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine is COc1cc(OC)nc(OCc2cccc(Br)c2C)n1.
What is the InChIKey of 2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine?
The InChIKey is OQIWIIVSVOFNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-9-10(5-4-6-11(9)15)8-20-14-16-12(18-2)7-13(17-14)19-3/h4-7H,8H2,1-3H3.
What are the key properties of 2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine?
2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine has a molecular weight of 339.19 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-methylphenyl)methoxy]-4,6-dimethoxypyrimidine is sourced from PubChem (CID 156575358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).