2-(4-fluorophenyl)-5-octoxypyrimidine

C18H23FN2O — CID 19006658

IUPAC2-(4-fluorophenyl)-5-octoxypyrimidine
SMILESCCCCCCCCOc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C18H23FN2O/c1-2-3-4-5-6-7-12-22-17-13-20-18(21-14-17)15-8-10-16(19)11-9-15/h8-11,13-14H,2-7,12H2,1H3
InChIKeyMWVMADYCZWJEQE-UHFFFAOYSA-N
MW302.39 g/mol
LogP5.02
Rot. Bonds9

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

2-(4-fluorophenyl)-5-octoxypyrimidine (PubChem CID 19006658) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-octoxypyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-octoxypyrimidine
PubChem CID19006658
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name2-(4-fluorophenyl)-5-octoxypyrimidine
SMILESCCCCCCCCOc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C18H23FN2O/c1-2-3-4-5-6-7-12-22-17-13-20-18(21-14-17)15-8-10-16(19)11-9-15/h8-11,13-14H,2-7,12H2,1H3
InChIKeyMWVMADYCZWJEQE-UHFFFAOYSA-N
XLogP5.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.39
LogP ≤ 55.02
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
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CID 70856091
4-N-butyl-5-(3-phenylpropoxy)pyrimidine-2,4-diamine
CID 70856103
5-(Benzyloxy)pyrimidine
CID 19745647
US9963444, Example 115
CID 118524766
4-[(2-Ethyl-5-pyrimidinyl)methyl]-2-(3-fluorobenzyl)morpholine
CID 45197160
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CID 70768517
N-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]-2-phenylethanamine
CID 118739917
2-(4-Butoxy-phenyl)-5-octyloxy-pyrimidine
CID 14418902
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
5-((5-Phenylpentyl)oxy)pyrimidine-2-carbonitrile
CID 118524853

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-octoxypyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-5-octoxypyrimidine (CID 19006658) is 2-(4-fluorophenyl)-5-octoxypyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-octoxypyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-5-octoxypyrimidine is CCCCCCCCOc1cnc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-octoxypyrimidine?
The InChIKey is MWVMADYCZWJEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-2-3-4-5-6-7-12-22-17-13-20-18(21-14-17)15-8-10-16(19)11-9-15/h8-11,13-14H,2-7,12H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-octoxypyrimidine?
2-(4-fluorophenyl)-5-octoxypyrimidine has a molecular weight of 302.39 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-octoxypyrimidine is sourced from PubChem (CID 19006658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).