2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine

C14H15BrN2 — CID 82489775

IUPAC2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(CCc2ccccc2Br)n1
InChIInChI=1S/C14H15BrN2/c1-10-9-11(2)17-14(16-10)8-7-12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3
InChIKeyJWPRVGHUPIJQEG-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.64
Rot. Bonds3

About 2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine

2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine (PubChem CID 82489775) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine
PubChem CID82489775
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(CCc2ccccc2Br)n1
InChIInChI=1S/C14H15BrN2/c1-10-9-11(2)17-14(16-10)8-7-12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3
InChIKeyJWPRVGHUPIJQEG-UHFFFAOYSA-N
XLogP3.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,3-thiazole
CID 82490061
N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691839
2-[(2-bromophenyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 117135097
3-[(2-bromophenyl)methyl]-1,5-dimethyl-1,2,4-triazole
CID 82486920
3-[2-(2-bromophenyl)ethyl]-4,5-dimethyl-1,2,4-triazole
CID 82489308
[2-(2-bromophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethyl]hydrazine
CID 107504978
1-bromo-2-(2-methoxyethyl)benzene
CID 5151997
1-bromo-2-propylbenzene;formaldehyde
CID 174375700
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541717
4-methoxy-6-methyl-2-(2-phenylethyl)pyrimidine
CID 13302362

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine (CID 82489775) is 2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(CCc2ccccc2Br)n1.
What is the InChIKey of 2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine?
The InChIKey is JWPRVGHUPIJQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-9-11(2)17-14(16-10)8-7-12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine?
2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine has a molecular weight of 291.19 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 82489775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).