5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine

C14H14BrClN2O — CID 66311864

IUPAC5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine
SMILESCCOc1ccccc1-c1nc(Cl)c(Br)c(CC)n1
InChIInChI=1S/C14H14BrClN2O/c1-3-10-12(15)13(16)18-14(17-10)9-7-5-6-8-11(9)19-4-2/h5-8H,3-4H2,1-2H3
InChIKeyFCXDYHXZXNADGK-UHFFFAOYSA-N
MW341.64 g/mol
LogP4.52
Rot. Bonds4

About 5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine

5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine (PubChem CID 66311864) has the molecular formula C14H14BrClN2O and a molecular weight of 341.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine
PubChem CID66311864
Molecular FormulaC14H14BrClN2O
Molecular Weight341.64 g/mol
Exact Mass340.00
IUPAC Name5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine
SMILESCCOc1ccccc1-c1nc(Cl)c(Br)c(CC)n1
InChIInChI=1S/C14H14BrClN2O/c1-3-10-12(15)13(16)18-14(17-10)9-7-5-6-8-11(9)19-4-2/h5-8H,3-4H2,1-2H3
InChIKeyFCXDYHXZXNADGK-UHFFFAOYSA-N
XLogP4.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-6-ethyl-2-[2-(methoxymethyl)phenyl]pyrimidine
CID 66314007
2-(2-bromophenyl)-4-chloro-6-ethyl-5-methylpyrimidine
CID 63549132
5-bromo-4-chloro-2-(2,5-dimethylphenyl)-6-ethylpyrimidine
CID 66313424
5-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-ethylpyrimidine
CID 66313232
4-chloro-2-(2-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 115532938
2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
CID 115534194
5-bromo-4-chloro-2-[2-(methoxymethyl)phenyl]-6-propylpyrimidine
CID 66312435
4-chloro-2-(2-ethoxyphenyl)-6-propan-2-ylpyrimidine
CID 43557749
5-bromo-4-chloro-6-(methoxymethyl)-2-naphthalen-1-ylpyrimidine
CID 66294471
3-(2-ethoxyphenyl)-5-ethyl-1H-1,2,4-triazole
CID 61277730
5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 66297909
5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66301030

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine (CID 66311864) is 5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine is CCOc1ccccc1-c1nc(Cl)c(Br)c(CC)n1.
What is the InChIKey of 5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine?
The InChIKey is FCXDYHXZXNADGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O/c1-3-10-12(15)13(16)18-14(17-10)9-7-5-6-8-11(9)19-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine?
5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine has a molecular weight of 341.64 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(2-ethoxyphenyl)-6-ethylpyrimidine is sourced from PubChem (CID 66311864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).