4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine

C18H14Cl2N2O2 — CID 54278545

IUPAC4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine
SMILESClc1ccc(-c2nc(Cl)cc(OCCOc3ccccc3)n2)cc1
InChIInChI=1S/C18H14Cl2N2O2/c19-14-8-6-13(7-9-14)18-21-16(20)12-17(22-18)24-11-10-23-15-4-2-1-3-5-15/h1-9,12H,10-11H2
InChIKeyRPDOSJVUMNHNAU-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.91
Rot. Bonds6

About 4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine

4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine (PubChem CID 54278545) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine
PubChem CID54278545
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine
SMILESClc1ccc(-c2nc(Cl)cc(OCCOc3ccccc3)n2)cc1
InChIInChI=1S/C18H14Cl2N2O2/c19-14-8-6-13(7-9-14)18-21-16(20)12-17(22-18)24-11-10-23-15-4-2-1-3-5-15/h1-9,12H,10-11H2
InChIKeyRPDOSJVUMNHNAU-UHFFFAOYSA-N
XLogP4.91
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methyl-6-(2-phenoxyethoxy)pyrimidine
CID 62483754
4-chloro-6-(2-cyclopropylethoxy)-2-phenylpyrimidine
CID 114157430
2-chloro-6-(2-phenoxyethoxy)-4-(trichloromethyl)pyridine
CID 21330009
4,6-dichloro-2-(4-chlorophenyl)pyrimidine
CID 22353517
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
2-chloro-6-(2-phenoxyethoxy)pyridine
CID 55212397
2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine
CID 114561970
1-[bis(2-phenoxyethoxy)methyl]-4-chlorobenzene
CID 71345800
5-chloro-4-(chloromethyl)-2-(2-phenoxyethoxy)pyridine
CID 114921193
2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methoxy]-6-methylpyrimidine
CID 95923139
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine (CID 54278545) is 4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine is Clc1ccc(-c2nc(Cl)cc(OCCOc3ccccc3)n2)cc1.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine?
The InChIKey is RPDOSJVUMNHNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c19-14-8-6-13(7-9-14)18-21-16(20)12-17(22-18)24-11-10-23-15-4-2-1-3-5-15/h1-9,12H,10-11H2.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine?
4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine has a molecular weight of 361.23 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-6-(2-phenoxyethoxy)pyrimidine is sourced from PubChem (CID 54278545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).