2-bromo-5-(4-ethylphenyl)pyrimidine

C12H11BrN2 — CID 88928784

IUPAC2-bromo-5-(4-ethylphenyl)pyrimidine
SMILESCCc1ccc(-c2cnc(Br)nc2)cc1
InChIInChI=1S/C12H11BrN2/c1-2-9-3-5-10(6-4-9)11-7-14-12(13)15-8-11/h3-8H,2H2,1H3
InChIKeyZTFSBIVXVHASJV-UHFFFAOYSA-N
MW263.14 g/mol
LogP3.47
Rot. Bonds2

About 2-bromo-5-(4-ethylphenyl)pyrimidine

2-bromo-5-(4-ethylphenyl)pyrimidine (PubChem CID 88928784) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 2-bromo-5-(4-ethylphenyl)pyrimidine.

Molecular Properties

Compound Name2-bromo-5-(4-ethylphenyl)pyrimidine
PubChem CID88928784
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name2-bromo-5-(4-ethylphenyl)pyrimidine
SMILESCCc1ccc(-c2cnc(Br)nc2)cc1
InChIInChI=1S/C12H11BrN2/c1-2-9-3-5-10(6-4-9)11-7-14-12(13)15-8-11/h3-8H,2H2,1H3
InChIKeyZTFSBIVXVHASJV-UHFFFAOYSA-N
XLogP3.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(4-ethylphenyl)pyrimidine
CID 82114110
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
ethane;5-(4-ethylphenyl)-2-methylpyridine
CID 143418091
5-(4-ethylphenyl)-N-methylpyridin-2-amine
CID 143417999
5-[4-(4-ethylphenyl)phenyl]-2-propylpyridine
CID 19859804
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
[5-(4-ethylphenyl)pyrimidin-2-yl]-methylcyanamide
CID 116977813
1-bromo-4-ethylbenzene
CID 15313
N'-[5-(4-ethylphenyl)pyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 116977265
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
[4-[4-[4-(4-ethylphenyl)phenyl]phenyl]phenyl]methanethiol
CID 121337523

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-ethylphenyl)pyrimidine?
The IUPAC name of 2-bromo-5-(4-ethylphenyl)pyrimidine (CID 88928784) is 2-bromo-5-(4-ethylphenyl)pyrimidine.
What is the SMILES notation for 2-bromo-5-(4-ethylphenyl)pyrimidine?
The canonical SMILES for 2-bromo-5-(4-ethylphenyl)pyrimidine is CCc1ccc(-c2cnc(Br)nc2)cc1.
What is the InChIKey of 2-bromo-5-(4-ethylphenyl)pyrimidine?
The InChIKey is ZTFSBIVXVHASJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c1-2-9-3-5-10(6-4-9)11-7-14-12(13)15-8-11/h3-8H,2H2,1H3.
What are the key properties of 2-bromo-5-(4-ethylphenyl)pyrimidine?
2-bromo-5-(4-ethylphenyl)pyrimidine has a molecular weight of 263.14 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-ethylphenyl)pyrimidine is sourced from PubChem (CID 88928784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).