4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine

C14H14BrClN2 — CID 116893757

IUPAC4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine
SMILESCc1cc(-c2cc(Br)ccc2C)nc(CCCl)n1
InChIInChI=1S/C14H14BrClN2/c1-9-3-4-11(15)8-12(9)13-7-10(2)17-14(18-13)5-6-16/h3-4,7-8H,5-6H2,1-2H3
InChIKeyDXTINXQBEKAXPX-UHFFFAOYSA-N
MW325.64 g/mol
LogP4.30
Rot. Bonds3

About 4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine

4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine (PubChem CID 116893757) has the molecular formula C14H14BrClN2 and a molecular weight of 325.64 g/mol. Its IUPAC name is 4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine
PubChem CID116893757
Molecular FormulaC14H14BrClN2
Molecular Weight325.64 g/mol
Exact Mass324.00
IUPAC Name4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine
SMILESCc1cc(-c2cc(Br)ccc2C)nc(CCCl)n1
InChIInChI=1S/C14H14BrClN2/c1-9-3-4-11(15)8-12(9)13-7-10(2)17-14(18-13)5-6-16/h3-4,7-8H,5-6H2,1-2H3
InChIKeyDXTINXQBEKAXPX-UHFFFAOYSA-N
XLogP4.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.64
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
CID 116893741
3-[4-(5-bromo-2-fluorophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892899
[1-[4-(5-bromo-2-methylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896060
2-(chloromethyl)-4-methyl-6-(2,4,5-trimethylphenyl)pyrimidine
CID 116893701
2-(5-bromo-2-methylphenyl)-5-(2-chloroethyl)-1,3,4-oxadiazole
CID 65307879
1-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]propan-2-one
CID 116901604
2-bromo-4-(2,5-dimethylphenyl)-6-methylpyrimidine
CID 116897213
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanol
CID 116893839
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82482338
4-[4-(4-bromophenyl)-6-methylpyrimidin-2-yl]butan-2-amine
CID 116893049
4-tert-butyl-2-(2-chloroethyl)-6-methylpyrimidine
CID 116893734
2-[4-(5-bromothiophen-2-yl)-6-methylpyrimidin-2-yl]ethanamine
CID 82308235

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine?
The IUPAC name of 4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine (CID 116893757) is 4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine.
What is the SMILES notation for 4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine?
The canonical SMILES for 4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine is Cc1cc(-c2cc(Br)ccc2C)nc(CCCl)n1.
What is the InChIKey of 4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine?
The InChIKey is DXTINXQBEKAXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2/c1-9-3-4-11(15)8-12(9)13-7-10(2)17-14(18-13)5-6-16/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine?
4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine has a molecular weight of 325.64 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylpyrimidine is sourced from PubChem (CID 116893757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).