2-(4-fluorophenyl)-5-pentoxypyrimidine

C15H17FN2O — CID 15095346

IUPAC2-(4-fluorophenyl)-5-pentoxypyrimidine
SMILESCCCCCOc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C15H17FN2O/c1-2-3-4-9-19-14-10-17-15(18-11-14)12-5-7-13(16)8-6-12/h5-8,10-11H,2-4,9H2,1H3
InChIKeyUFNXJIOZNWGWFV-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.85
Rot. Bonds6

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

2-(4-fluorophenyl)-5-pentoxypyrimidine (PubChem CID 15095346) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-pentoxypyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-pentoxypyrimidine
PubChem CID15095346
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(4-fluorophenyl)-5-pentoxypyrimidine
SMILESCCCCCOc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C15H17FN2O/c1-2-3-4-9-19-14-10-17-15(18-11-14)12-5-7-13(16)8-6-12/h5-8,10-11H,2-4,9H2,1H3
InChIKeyUFNXJIOZNWGWFV-UHFFFAOYSA-N
XLogP3.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.85
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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Related Compounds

2-Phenylpyrimidin-5-ol
CID 598996
4-N-butyl-5-phenylmethoxypyrimidine-2,4-diamine
CID 70856091
4-N-butyl-5-(3-phenylpropoxy)pyrimidine-2,4-diamine
CID 70856103
5-(Benzyloxy)pyrimidine
CID 19745647
US9963444, Example 115
CID 118524766
2-[Ethyl(1-phenylpropyl)amino]pyrimidin-5-ol
CID 44395774
2-[Benzyl(ethyl)amino]pyrimidin-5-ol
CID 44395804
4-[(2-Ethyl-5-pyrimidinyl)methyl]-2-(3-fluorobenzyl)morpholine
CID 45197160
1-[(4-Fluorophenyl)methyl]-4-(5-methoxypyrimidin-2-yl)-1,4-diazepane
CID 70768517
N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine
CID 118739917
5-methoxy-2-phenyl-N-propan-2-ylpyrimidin-4-amine
CID 51040074
5-(2-Fluoro-octyloxy)-2-(4'-pentyl-biphenyl-4-yl)-pyrimidine
CID 18647407

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-pentoxypyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-5-pentoxypyrimidine (CID 15095346) is 2-(4-fluorophenyl)-5-pentoxypyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-pentoxypyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-5-pentoxypyrimidine is CCCCCOc1cnc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-pentoxypyrimidine?
The InChIKey is UFNXJIOZNWGWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-3-4-9-19-14-10-17-15(18-11-14)12-5-7-13(16)8-6-12/h5-8,10-11H,2-4,9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-pentoxypyrimidine?
2-(4-fluorophenyl)-5-pentoxypyrimidine has a molecular weight of 260.31 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-pentoxypyrimidine is sourced from PubChem (CID 15095346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).