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

C14H13Cl3N2O — CID 106815035

IUPAC4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine
SMILESCCOCCc1nc(Cl)c(-c2ccccc2Cl)c(Cl)n1
InChIInChI=1S/C14H13Cl3N2O/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
InChIKeyYYZYISJCEBTMTK-UHFFFAOYSA-N
MW331.63 g/mol
LogP4.68
Rot. Bonds5

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

4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine (PubChem CID 106815035) has the molecular formula C14H13Cl3N2O and a molecular weight of 331.63 g/mol. Its IUPAC name is 4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine
PubChem CID106815035
Molecular FormulaC14H13Cl3N2O
Molecular Weight331.63 g/mol
Exact Mass330.01
IUPAC Name4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine
SMILESCCOCCc1nc(Cl)c(-c2ccccc2Cl)c(Cl)n1
InChIInChI=1S/C14H13Cl3N2O/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
InChIKeyYYZYISJCEBTMTK-UHFFFAOYSA-N
XLogP4.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.63
LogP ≤ 54.68
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

5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine
CID 106815034
4,6-dichloro-5-(2-chlorophenyl)-2-(propylsulfanylmethyl)pyrimidine
CID 79439930
4,6-dichloro-2-(2-ethoxyethyl)-5-ethylpyrimidine
CID 106815000
4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine
CID 79439039
1,2-dichlorobenzene;ethoxyethane
CID 68845412
5-bromo-4-chloro-2-(2-ethoxyethyl)-6-ethylpyrimidine
CID 106815014
4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine
CID 79421873
4-chloro-2-(2-ethoxyethyl)-5-ethyl-6-methylpyrimidine
CID 106814990
5-bromo-4-chloro-2-(2-ethoxyethyl)pyrimidine
CID 106815020
4-chloro-2-(2-ethoxyethyl)-5-iodo-6-propan-2-ylpyrimidine
CID 106815017
5,7-dichloro-6-(2-chlorophenyl)-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 104616040
1-chloro-2-(5-ethoxypentyl)benzene
CID 57071583

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine (CID 106815035) is 4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine is CCOCCc1nc(Cl)c(-c2ccccc2Cl)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine?
The InChIKey is YYZYISJCEBTMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N2O/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 4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine?
4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine has a molecular weight of 331.63 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2-chlorophenyl)-2-(2-ethoxyethyl)pyrimidine is sourced from PubChem (CID 106815035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).