4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine

C19H17ClN2O2 — CID 27274520

IUPAC4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine
SMILESCOCCOc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClN2O2/c1-23-11-12-24-19-21-17(14-5-3-2-4-6-14)13-18(22-19)15-7-9-16(20)10-8-15/h2-10,13H,11-12H2,1H3
InChIKeyNMSFRDZPIJAYCD-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.49
Rot. Bonds6

About 4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine

4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine (PubChem CID 27274520) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine
PubChem CID27274520
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine
SMILESCOCCOc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClN2O2/c1-23-11-12-24-19-21-17(14-5-3-2-4-6-14)13-18(22-19)15-7-9-16(20)10-8-15/h2-10,13H,11-12H2,1H3
InChIKeyNMSFRDZPIJAYCD-UHFFFAOYSA-N
XLogP4.49
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.49
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

2-Amino-4-chloro-6-phenylpyrimidine
CID 240802
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
4-(1-Benzyl-piperidin-4-yl)-6-(4-chloro-phenyl)-pyrimidin-2-ylamine
CID 9951735
4-Chloro-5-[(4-chlorophenyl)methyl]-6-methyl-2-pyrimidinamine
CID 3154202
2,4-Dichloro-6-phenylpyrimidine
CID 241554
6-Chloro-2-methoxy-4-phenylquinazoline
CID 742338
5-(4-Chloro-phenyl)-6-(3-phenyl-propyl)-pyrimidine-2,4-diamine
CID 11121319
4-(3-Chlorophenyl)-6-phenylpyrimidin-2-amine
CID 12293990
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)methyl)phenyl)ethanol
CID 74221427
5-(4-Chlorophenyl)-6-nonylpyrimidine-2,4-diamine
CID 23648077

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine (CID 27274520) is 4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine is COCCOc1nc(-c2ccccc2)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine?
The InChIKey is NMSFRDZPIJAYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-23-11-12-24-19-21-17(14-5-3-2-4-6-14)13-18(22-19)15-7-9-16(20)10-8-15/h2-10,13H,11-12H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine?
4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine has a molecular weight of 340.81 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2-methoxyethoxy)-6-phenylpyrimidine is sourced from PubChem (CID 27274520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).