5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine

C14H13BrCl2N2O — CID 106815034

IUPAC5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine
SMILESCCOCCc1nc(Cl)c(-c2ccccc2Br)c(Cl)n1
InChIInChI=1S/C14H13BrCl2N2O/c1-2-20-8-7-11-18-13(16)12(14(17)19-11)9-5-3-4-6-10(9)15/h3-6H,2,7-8H2,1H3
InChIKeyWTVFUPABBOXJGJ-UHFFFAOYSA-N
MW376.08 g/mol
LogP4.79
Rot. Bonds5

About 5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine

5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine (PubChem CID 106815034) has the molecular formula C14H13BrCl2N2O and a molecular weight of 376.08 g/mol. Its IUPAC name is 5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine.

Molecular Properties

Compound Name5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine
PubChem CID106815034
Molecular FormulaC14H13BrCl2N2O
Molecular Weight376.08 g/mol
Exact Mass373.96
IUPAC Name5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine
SMILESCCOCCc1nc(Cl)c(-c2ccccc2Br)c(Cl)n1
InChIInChI=1S/C14H13BrCl2N2O/c1-2-20-8-7-11-18-13(16)12(14(17)19-11)9-5-3-4-6-10(9)15/h3-6H,2,7-8H2,1H3
InChIKeyWTVFUPABBOXJGJ-UHFFFAOYSA-N
XLogP4.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.08
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine
CID 106815035
1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine
CID 79439579
5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine
CID 79438939
5-bromo-4-chloro-2-(2-ethoxyethyl)-6-ethylpyrimidine
CID 106815014
5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine
CID 106815020
5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine
CID 116706650
4,6-dichloro-2-(2-ethoxyethyl)-5-ethylpyrimidine
CID 106815000
5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine
CID 79435670
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
CID 79435454
4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine
CID 79421873
4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine
CID 106814990
4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine
CID 106815017

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine?
The IUPAC name of 5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine (CID 106815034) is 5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine.
What is the SMILES notation for 5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine?
The canonical SMILES for 5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine is CCOCCc1nc(Cl)c(-c2ccccc2Br)c(Cl)n1.
What is the InChIKey of 5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine?
The InChIKey is WTVFUPABBOXJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrCl2N2O/c1-2-20-8-7-11-18-13(16)12(14(17)19-11)9-5-3-4-6-10(9)15/h3-6H,2,7-8H2,1H3.
What are the key properties of 5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine?
5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine has a molecular weight of 376.08 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine is sourced from PubChem (CID 106815034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).