2-(4-fluorophenyl)-5-pentylpyrimidine

C15H17FN2 — CID 604327

IUPAC2-(4-fluorophenyl)-5-pentylpyrimidine
SMILESCCCCCc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C15H17FN2/c1-2-3-4-5-12-10-17-15(18-11-12)13-6-8-14(16)9-7-13/h6-11H,2-5H2,1H3
InChIKeyRWLYKSJIUZMCNQ-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.02
Rot. Bonds5

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

2-(4-fluorophenyl)-5-pentylpyrimidine (PubChem CID 604327) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-pentylpyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-pentylpyrimidine
PubChem CID604327
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-(4-fluorophenyl)-5-pentylpyrimidine
SMILESCCCCCc1cnc(-c2ccc(F)cc2)nc1
InChIInChI=1S/C15H17FN2/c1-2-3-4-5-12-10-17-15(18-11-12)13-6-8-14(16)9-7-13/h6-11H,2-5H2,1H3
InChIKeyRWLYKSJIUZMCNQ-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pentylpyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-5-pentylpyrimidine (CID 604327) is 2-(4-fluorophenyl)-5-pentylpyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-pentylpyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-5-pentylpyrimidine is CCCCCc1cnc(-c2ccc(F)cc2)nc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-pentylpyrimidine?
The InChIKey is RWLYKSJIUZMCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c1-2-3-4-5-12-10-17-15(18-11-12)13-6-8-14(16)9-7-13/h6-11H,2-5H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-pentylpyrimidine?
2-(4-fluorophenyl)-5-pentylpyrimidine has a molecular weight of 244.31 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-pentylpyrimidine is sourced from PubChem (CID 604327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).