4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine

C19H16ClFN2O — CID 2767771

IUPAC4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine
SMILESFCCCOc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16ClFN2O/c20-16-6-2-14(3-7-16)18-10-12-22-19(23-18)15-4-8-17(9-5-15)24-13-1-11-21/h2-10,12H,1,11,13H2
InChIKeyPTROLUMTLQMLQF-UHFFFAOYSA-N
MW342.80 g/mol
LogP5.20
Rot. Bonds6

About 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine

4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine (PubChem CID 2767771) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine
PubChem CID2767771
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC Name4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine
SMILESFCCCOc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C19H16ClFN2O/c20-16-6-2-14(3-7-16)18-10-12-22-19(23-18)15-4-8-17(9-5-15)24-13-1-11-21/h2-10,12H,1,11,13H2
InChIKeyPTROLUMTLQMLQF-UHFFFAOYSA-N
XLogP5.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.80
LogP ≤ 55.20
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine?
The IUPAC name of 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine (CID 2767771) is 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine?
The canonical SMILES for 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine is FCCCOc1ccc(-c2nccc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine?
The InChIKey is PTROLUMTLQMLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c20-16-6-2-14(3-7-16)18-10-12-22-19(23-18)15-4-8-17(9-5-15)24-13-1-11-21/h2-10,12H,1,11,13H2.
What are the key properties of 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine?
4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine has a molecular weight of 342.80 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[4-(3-fluoropropoxy)phenyl]pyrimidine is sourced from PubChem (CID 2767771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).