2-(4-fluorophenyl)-5-nonoxypyrimidine

C19H25FN2O — CID 19006663

IUPAC2-(4-fluorophenyl)-5-nonoxypyrimidine
SMILESCCCCCCCCCOc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C19H25FN2O/c1-2-3-4-5-6-7-8-13-23-18-14-21-19(22-15-18)16-9-11-17(20)12-10-16/h9-12,14-15H,2-8,13H2,1H3
InChIKeyBIJFEWQMSRJCTK-UHFFFAOYSA-N
MW316.42 g/mol
LogP5.41
Rot. Bonds10

About 2-(4-fluorophenyl)-5-nonoxypyrimidine

2-(4-fluorophenyl)-5-nonoxypyrimidine (PubChem CID 19006663) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-nonoxypyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-nonoxypyrimidine
PubChem CID19006663
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name2-(4-fluorophenyl)-5-nonoxypyrimidine
SMILESCCCCCCCCCOc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C19H25FN2O/c1-2-3-4-5-6-7-8-13-23-18-14-21-19(22-15-18)16-9-11-17(20)12-10-16/h9-12,14-15H,2-8,13H2,1H3
InChIKeyBIJFEWQMSRJCTK-UHFFFAOYSA-N
XLogP5.41
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.42
LogP ≤ 55.41
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 2-(4-fluorophenyl)-5-nonoxypyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-5-nonoxypyrimidine (CID 19006663) is 2-(4-fluorophenyl)-5-nonoxypyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-nonoxypyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-5-nonoxypyrimidine is CCCCCCCCCOc1cnc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-nonoxypyrimidine?
The InChIKey is BIJFEWQMSRJCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-2-3-4-5-6-7-8-13-23-18-14-21-19(22-15-18)16-9-11-17(20)12-10-16/h9-12,14-15H,2-8,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-nonoxypyrimidine?
2-(4-fluorophenyl)-5-nonoxypyrimidine has a molecular weight of 316.42 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-nonoxypyrimidine is sourced from PubChem (CID 19006663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).