4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine

C16H19BrN2O — CID 103434475

IUPAC4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine
SMILESCOc1c(-c2cc(Br)nc(C(C)C)n2)ccc(C)c1C
InChIInChI=1S/C16H19BrN2O/c1-9(2)16-18-13(8-14(17)19-16)12-7-6-10(3)11(4)15(12)20-5/h6-9H,1-5H3
InChIKeyGBRSDWXUGKCRSY-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.65
Rot. Bonds3

About 4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine

4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine (PubChem CID 103434475) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine
PubChem CID103434475
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine
SMILESCOc1c(-c2cc(Br)nc(C(C)C)n2)ccc(C)c1C
InChIInChI=1S/C16H19BrN2O/c1-9(2)16-18-13(8-14(17)19-16)12-7-6-10(3)11(4)15(12)20-5/h6-9H,1-5H3
InChIKeyGBRSDWXUGKCRSY-UHFFFAOYSA-N
XLogP4.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-(2-methoxy-3,4-dimethylphenyl)pyridine
CID 103434425
8-(6-bromo-2-propan-2-ylpyrimidin-4-yl)isoquinoline
CID 103144222
4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770565
2-(2-methoxy-3,4-dimethylphenyl)pyridin-4-amine
CID 103434063
4-fluoro-2-(2-methoxy-3,4-dimethylphenyl)pyridine
CID 103434468
4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine
CID 112554781
4-bromo-6-methyl-2-propan-2-ylpyrimidine
CID 43517260
2-chloro-4-(2-methoxy-3,4-dimethylphenyl)-6-propan-2-yloxy-1,3,5-triazine
CID 103434463
4-(2-methoxy-3,4-dimethylphenyl)-3-methylaniline
CID 103434076
4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine
CID 80952660
6-(2,4-dimethoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80952332
4-chloro-6-(2-methoxy-5-methylphenyl)-2-propan-2-ylpyrimidine
CID 80952524

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine (CID 103434475) is 4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine is COc1c(-c2cc(Br)nc(C(C)C)n2)ccc(C)c1C.
What is the InChIKey of 4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine?
The InChIKey is GBRSDWXUGKCRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-9(2)16-18-13(8-14(17)19-16)12-7-6-10(3)11(4)15(12)20-5/h6-9H,1-5H3.
What are the key properties of 4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine?
4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine has a molecular weight of 335.25 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2-methoxy-3,4-dimethylphenyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 103434475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).