5-(3-bromophenoxy)-2,4-dimethylpyrimidine

C12H11BrN2O — CID 115051397

IUPAC5-(3-bromophenoxy)-2,4-dimethylpyrimidine
SMILESCc1ncc(Oc2cccc(Br)c2)c(C)n1
InChIInChI=1S/C12H11BrN2O/c1-8-12(7-14-9(2)15-8)16-11-5-3-4-10(13)6-11/h3-7H,1-2H3
InChIKeyRKOQDAVOKNWMAA-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.65
Rot. Bonds2

About 5-(3-bromophenoxy)-2,4-dimethylpyrimidine

5-(3-bromophenoxy)-2,4-dimethylpyrimidine (PubChem CID 115051397) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 5-(3-bromophenoxy)-2,4-dimethylpyrimidine.

Molecular Properties

Compound Name5-(3-bromophenoxy)-2,4-dimethylpyrimidine
PubChem CID115051397
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name5-(3-bromophenoxy)-2,4-dimethylpyrimidine
SMILESCc1ncc(Oc2cccc(Br)c2)c(C)n1
InChIInChI=1S/C12H11BrN2O/c1-8-12(7-14-9(2)15-8)16-11-5-3-4-10(13)6-11/h3-7H,1-2H3
InChIKeyRKOQDAVOKNWMAA-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-(3-bromophenoxy)-2-methylpyrimidine-5-carbonitrile
CID 112755249
[4-(2,4-dimethylpyrimidin-5-yl)oxyphenyl]methanamine
CID 115037235
2-(3-bromophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184509
4-(2,4-dimethylpyrimidin-5-yl)oxybenzaldehyde
CID 115036624
4-(2,4-dimethylpyrimidin-5-yl)oxybenzoic acid
CID 115055251
4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054592
2-(3-bromophenoxy)-5-methoxypyridine
CID 106503836
[6-(3-bromophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80633368
5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
2-bromo-6-(3-bromophenoxy)pyridine
CID 63962984
5-bromo-2-(3-bromophenoxy)pyridin-3-amine
CID 61228290
[5-bromo-2-(3-bromophenoxy)phenyl]methanol
CID 114061472

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenoxy)-2,4-dimethylpyrimidine?
The IUPAC name of 5-(3-bromophenoxy)-2,4-dimethylpyrimidine (CID 115051397) is 5-(3-bromophenoxy)-2,4-dimethylpyrimidine.
What is the SMILES notation for 5-(3-bromophenoxy)-2,4-dimethylpyrimidine?
The canonical SMILES for 5-(3-bromophenoxy)-2,4-dimethylpyrimidine is Cc1ncc(Oc2cccc(Br)c2)c(C)n1.
What is the InChIKey of 5-(3-bromophenoxy)-2,4-dimethylpyrimidine?
The InChIKey is RKOQDAVOKNWMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c1-8-12(7-14-9(2)15-8)16-11-5-3-4-10(13)6-11/h3-7H,1-2H3.
What are the key properties of 5-(3-bromophenoxy)-2,4-dimethylpyrimidine?
5-(3-bromophenoxy)-2,4-dimethylpyrimidine 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 5-(3-bromophenoxy)-2,4-dimethylpyrimidine is sourced from PubChem (CID 115051397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).