4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine

C15H17BrN2O2 — CID 116903845

IUPAC4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine
SMILESCOc1nccc(-c2c(C)c(Br)c(C)c(C)c2OC)n1
InChIInChI=1S/C15H17BrN2O2/c1-8-9(2)14(19-4)12(10(3)13(8)16)11-6-7-17-15(18-11)20-5/h6-7H,1-5H3
InChIKeyZQYHZKLBVSCOGD-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.85
Rot. Bonds3

About 4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine

4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine (PubChem CID 116903845) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine.

Molecular Properties

Compound Name4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine
PubChem CID116903845
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine
SMILESCOc1nccc(-c2c(C)c(Br)c(C)c(C)c2OC)n1
InChIInChI=1S/C15H17BrN2O2/c1-8-9(2)14(19-4)12(10(3)13(8)16)11-6-7-17-15(18-11)20-5/h6-7H,1-5H3
InChIKeyZQYHZKLBVSCOGD-UHFFFAOYSA-N
XLogP3.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-N-methylpyridazin-3-amine
CID 116973160
4-(2,4-dimethoxy-6-methylphenyl)-2-methoxypyrimidine
CID 116903822
2-methoxy-4-(5-methylfuran-2-yl)pyrimidine
CID 116903833
3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 115112612
2-methoxy-4-(6-methylnaphthalen-2-yl)pyrimidine
CID 116903843
4-(2-methoxypyrimidin-4-yl)-N-methylaniline
CID 145078469
4-(4-ethoxyphenyl)-2-methoxypyrimidine
CID 116903760
4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine
CID 116903746
3-(2-methoxypyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid
CID 70873436
5-bromo-2-methoxy-4-methylpyrimidine
CID 51401365
4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
CID 116903740
5-(2-methoxypyrimidin-4-yl)-1,3-dihydrobenzimidazol-2-one
CID 116903807

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine?
The IUPAC name of 4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine (CID 116903845) is 4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine.
What is the SMILES notation for 4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine?
The canonical SMILES for 4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine is COc1nccc(-c2c(C)c(Br)c(C)c(C)c2OC)n1.
What is the InChIKey of 4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine?
The InChIKey is ZQYHZKLBVSCOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-8-9(2)14(19-4)12(10(3)13(8)16)11-6-7-17-15(18-11)20-5/h6-7H,1-5H3.
What are the key properties of 4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine?
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine has a molecular weight of 337.22 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)-2-methoxypyrimidine is sourced from PubChem (CID 116903845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).