4-bromo-6-(2-phenylethyl)pyrimidine

C12H11BrN2 — CID 121205692

IUPAC4-bromo-6-(2-phenylethyl)pyrimidine
SMILESBrc1cc(CCc2ccccc2)ncn1
InChIInChI=1S/C12H11BrN2/c13-12-8-11(14-9-15-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyXOZCGJQDDACDLC-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.02
Rot. Bonds3

About 4-bromo-6-(2-phenylethyl)pyrimidine

4-bromo-6-(2-phenylethyl)pyrimidine (PubChem CID 121205692) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 4-bromo-6-(2-phenylethyl)pyrimidine.

Molecular Properties

Compound Name4-bromo-6-(2-phenylethyl)pyrimidine
PubChem CID121205692
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name4-bromo-6-(2-phenylethyl)pyrimidine
SMILESBrc1cc(CCc2ccccc2)ncn1
InChIInChI=1S/C12H11BrN2/c13-12-8-11(14-9-15-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKeyXOZCGJQDDACDLC-UHFFFAOYSA-N
XLogP3.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dibenzylpyrimidine
CID 59375742
benzene;2-phenylethylbenzene
CID 18982764
ethyl 2-oxo-3-[6-(2-phenylethyl)pyrimidin-4-yl]propanoate
CID 90753917
hafnium;2-phenylethylbenzene
CID 173109801
2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone
CID 90901581
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
N-benzyl-2-[(6-bromopyrimidin-4-yl)amino]acetamide
CID 106193023
6-bromo-2-(2-phenylethyl)quinoline
CID 59459867
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
3-[2-(6-methylpyrimidin-4-yl)ethyl]aniline
CID 82471038
4-[6-(2-phenylethyl)pyrimidin-4-yl]-1-propan-2-ylpyrrolidine-2,3-dione
CID 90773251
5-bromo-3-(2-phenylethyl)-1,2-benzoxazole
CID 148595915

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(2-phenylethyl)pyrimidine?
The IUPAC name of 4-bromo-6-(2-phenylethyl)pyrimidine (CID 121205692) is 4-bromo-6-(2-phenylethyl)pyrimidine.
What is the SMILES notation for 4-bromo-6-(2-phenylethyl)pyrimidine?
The canonical SMILES for 4-bromo-6-(2-phenylethyl)pyrimidine is Brc1cc(CCc2ccccc2)ncn1.
What is the InChIKey of 4-bromo-6-(2-phenylethyl)pyrimidine?
The InChIKey is XOZCGJQDDACDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-12-8-11(14-9-15-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2.
What are the key properties of 4-bromo-6-(2-phenylethyl)pyrimidine?
4-bromo-6-(2-phenylethyl)pyrimidine has a molecular weight of 263.14 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-(2-phenylethyl)pyrimidine is sourced from PubChem (CID 121205692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).