2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine

C13H13BrN2O — CID 116904266

IUPAC2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine
SMILESCCc1ccc(OC)c(-c2ccnc(Br)n2)c1
InChIInChI=1S/C13H13BrN2O/c1-3-9-4-5-12(17-2)10(8-9)11-6-7-15-13(14)16-11/h4-8H,3H2,1-2H3
InChIKeyIROIUZXDWBKCLP-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.48
Rot. Bonds3

About 2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine

2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine (PubChem CID 116904266) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine
PubChem CID116904266
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine
SMILESCCc1ccc(OC)c(-c2ccnc(Br)n2)c1
InChIInChI=1S/C13H13BrN2O/c1-3-9-4-5-12(17-2)10(8-9)11-6-7-15-13(14)16-11/h4-8H,3H2,1-2H3
InChIKeyIROIUZXDWBKCLP-UHFFFAOYSA-N
XLogP3.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-ethyl-2-methoxyphenyl)pyrimidin-2-yl]cyclopropan-1-amine
CID 116903552
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
CID 116869035
2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968837
2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine
CID 116904284
4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine
CID 82480643
2-[4-(5-ethyl-2-methoxyphenyl)-2-methylimidazol-1-yl]ethanamine
CID 95466234
4-(5-bromo-2-methoxyphenyl)pyrimidine-2-carbaldehyde
CID 116900212
3-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899170
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]propan-2-one
CID 116901573
1-[4-(5-bromo-2-methoxyphenyl)pyrimidin-2-yl]ethanone
CID 116901461
[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82475517

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine?
The IUPAC name of 2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine (CID 116904266) is 2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine?
The canonical SMILES for 2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine is CCc1ccc(OC)c(-c2ccnc(Br)n2)c1.
What is the InChIKey of 2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine?
The InChIKey is IROIUZXDWBKCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-3-9-4-5-12(17-2)10(8-9)11-6-7-15-13(14)16-11/h4-8H,3H2,1-2H3.
What are the key properties of 2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine?
2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine has a molecular weight of 293.16 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine is sourced from PubChem (CID 116904266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).