4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine

C19H17FN2O — CID 3693151

IUPAC4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine
SMILESFCCCOc1ccc(-c2ccnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H17FN2O/c20-12-4-14-23-17-9-7-15(8-10-17)18-11-13-21-19(22-18)16-5-2-1-3-6-16/h1-3,5-11,13H,4,12,14H2
InChIKeyRECBAHXGAXTDJB-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.55
Rot. Bonds6

About 4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine

4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine (PubChem CID 3693151) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine
PubChem CID3693151
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine
SMILESFCCCOc1ccc(-c2ccnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H17FN2O/c20-12-4-14-23-17-9-7-15(8-10-17)18-11-13-21-19(22-18)16-5-2-1-3-6-16/h1-3,5-11,13H,4,12,14H2
InChIKeyRECBAHXGAXTDJB-UHFFFAOYSA-N
XLogP4.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.55
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-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine (CID 3693151) is 4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine is FCCCOc1ccc(-c2ccnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine?
The InChIKey is RECBAHXGAXTDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-12-4-14-23-17-9-7-15(8-10-17)18-11-13-21-19(22-18)16-5-2-1-3-6-16/h1-3,5-11,13H,4,12,14H2.
What are the key properties of 4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine?
4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine has a molecular weight of 308.36 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoropropoxy)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 3693151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).