4-fluoro-6-tridecan-7-ylpyrimidine

C17H29FN2 — CID 155010668

IUPAC4-fluoro-6-tridecan-7-ylpyrimidine
SMILESCCCCCCC(CCCCCC)c1cc(F)ncn1
InChIInChI=1S/C17H29FN2/c1-3-5-7-9-11-15(12-10-8-6-4-2)16-13-17(18)20-14-19-16/h13-15H,3-12H2,1-2H3
InChIKeyMFJGAIPSTZCMGK-UHFFFAOYSA-N
MW280.43 g/mol
LogP5.64
Rot. Bonds11

About 4-fluoro-6-tridecan-7-ylpyrimidine

4-fluoro-6-tridecan-7-ylpyrimidine (PubChem CID 155010668) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 4-fluoro-6-tridecan-7-ylpyrimidine.

Molecular Properties

Compound Name4-fluoro-6-tridecan-7-ylpyrimidine
PubChem CID155010668
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name4-fluoro-6-tridecan-7-ylpyrimidine
SMILESCCCCCCC(CCCCCC)c1cc(F)ncn1
InChIInChI=1S/C17H29FN2/c1-3-5-7-9-11-15(12-10-8-6-4-2)16-13-17(18)20-14-19-16/h13-15H,3-12H2,1-2H3
InChIKeyMFJGAIPSTZCMGK-UHFFFAOYSA-N
XLogP5.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.43
LogP ≤ 55.64
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 4-fluoro-6-tridecan-7-ylpyrimidine?
The IUPAC name of 4-fluoro-6-tridecan-7-ylpyrimidine (CID 155010668) is 4-fluoro-6-tridecan-7-ylpyrimidine.
What is the SMILES notation for 4-fluoro-6-tridecan-7-ylpyrimidine?
The canonical SMILES for 4-fluoro-6-tridecan-7-ylpyrimidine is CCCCCCC(CCCCCC)c1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-tridecan-7-ylpyrimidine?
The InChIKey is MFJGAIPSTZCMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-3-5-7-9-11-15(12-10-8-6-4-2)16-13-17(18)20-14-19-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 4-fluoro-6-tridecan-7-ylpyrimidine?
4-fluoro-6-tridecan-7-ylpyrimidine has a molecular weight of 280.43 g/mol, XLogP of 5.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-tridecan-7-ylpyrimidine is sourced from PubChem (CID 155010668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).