2-(4-bromophenoxy)-4,6-dimethoxypyrimidine

C12H11BrN2O3 — CID 113292889

IUPAC2-(4-bromophenoxy)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN2O3/c1-16-10-7-11(17-2)15-12(14-10)18-9-5-3-8(13)4-6-9/h3-7H,1-2H3
InChIKeyAGPYLQDCDJQRAD-UHFFFAOYSA-N
MW311.14 g/mol
LogP3.05
Rot. Bonds4

About 2-(4-bromophenoxy)-4,6-dimethoxypyrimidine

2-(4-bromophenoxy)-4,6-dimethoxypyrimidine (PubChem CID 113292889) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-4,6-dimethoxypyrimidine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-4,6-dimethoxypyrimidine
PubChem CID113292889
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name2-(4-bromophenoxy)-4,6-dimethoxypyrimidine
SMILESCOc1cc(OC)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C12H11BrN2O3/c1-16-10-7-11(17-2)15-12(14-10)18-9-5-3-8(13)4-6-9/h3-7H,1-2H3
InChIKeyAGPYLQDCDJQRAD-UHFFFAOYSA-N
XLogP3.05
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline
CID 113292982
2-(4-bromo-3-methylphenoxy)-4,6-dimethoxypyrimidine
CID 83140189
2-[4-(chloromethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 139084188
4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 4615865
2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine
CID 3858351
2-(4,6-dimethoxypyrimidin-2-yl)oxy-4-methoxybenzaldehyde
CID 139643232
[2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol
CID 114219948
1-bromo-4-(4-bromophenoxy)benzene
CID 16305
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]aniline
CID 134106660
[3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate
CID 134120094
4,6-dimethoxy-2-[3-(6-methoxy-2-pyridinyl)phenoxy]pyrimidine
CID 67801933
2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554676

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-4,6-dimethoxypyrimidine?
The IUPAC name of 2-(4-bromophenoxy)-4,6-dimethoxypyrimidine (CID 113292889) is 2-(4-bromophenoxy)-4,6-dimethoxypyrimidine.
What is the SMILES notation for 2-(4-bromophenoxy)-4,6-dimethoxypyrimidine?
The canonical SMILES for 2-(4-bromophenoxy)-4,6-dimethoxypyrimidine is COc1cc(OC)nc(Oc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenoxy)-4,6-dimethoxypyrimidine?
The InChIKey is AGPYLQDCDJQRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-16-10-7-11(17-2)15-12(14-10)18-9-5-3-8(13)4-6-9/h3-7H,1-2H3.
What are the key properties of 2-(4-bromophenoxy)-4,6-dimethoxypyrimidine?
2-(4-bromophenoxy)-4,6-dimethoxypyrimidine has a molecular weight of 311.14 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-4,6-dimethoxypyrimidine is sourced from PubChem (CID 113292889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).