4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine

C14H15BrN2O — CID 114245103

IUPAC4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine
SMILESCOc1ccc(-c2ncc(C)c(CBr)n2)cc1C
InChIInChI=1S/C14H15BrN2O/c1-9-6-11(4-5-13(9)18-3)14-16-8-10(2)12(7-15)17-14/h4-6,8H,7H2,1-3H3
InChIKeyRRALLXXNDYDJMZ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.66
Rot. Bonds3

About 4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine

4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine (PubChem CID 114245103) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine
PubChem CID114245103
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine
SMILESCOc1ccc(-c2ncc(C)c(CBr)n2)cc1C
InChIInChI=1S/C14H15BrN2O/c1-9-6-11(4-5-13(9)18-3)14-16-8-10(2)12(7-15)17-14/h4-6,8H,7H2,1-3H3
InChIKeyRRALLXXNDYDJMZ-UHFFFAOYSA-N
XLogP3.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
5-bromo-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 66296448
5-iodo-2-(4-methoxy-3-methylphenyl)pyrimidin-4-amine
CID 66297619
4-(bromomethyl)-5-methyl-2-(3,4,5-trifluorophenyl)pyrimidine
CID 114245098
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
CID 50962372
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol
CID 84606373
[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine
CID 82474052
2-(4-methoxy-3-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 62190799
5-(1-chloroethyl)-2-(3,4-dimethoxyphenyl)-4-methylpyrimidine
CID 62771213
[2-(4-methoxy-3-methylphenyl)-1H-imidazol-5-yl]methanol
CID 63108344
(1S)-1-[2-(3,4-dimethoxyphenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431547

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine?
The IUPAC name of 4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine (CID 114245103) is 4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine.
What is the SMILES notation for 4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine?
The canonical SMILES for 4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine is COc1ccc(-c2ncc(C)c(CBr)n2)cc1C.
What is the InChIKey of 4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine?
The InChIKey is RRALLXXNDYDJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-6-11(4-5-13(9)18-3)14-16-8-10(2)12(7-15)17-14/h4-6,8H,7H2,1-3H3.
What are the key properties of 4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine?
4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine has a molecular weight of 307.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(4-methoxy-3-methylphenyl)-5-methylpyrimidine is sourced from PubChem (CID 114245103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).