5-fluoro-4-tetradecan-7-ylpyrimidine

C18H31FN2 — CID 137419083

IUPAC5-fluoro-4-tetradecan-7-ylpyrimidine
SMILESCCCCCCCC(CCCCCC)c1ncncc1F
InChIInChI=1S/C18H31FN2/c1-3-5-7-9-11-13-16(12-10-8-6-4-2)18-17(19)14-20-15-21-18/h14-16H,3-13H2,1-2H3
InChIKeyMKABBWFYERETCC-UHFFFAOYSA-N
MW294.46 g/mol
LogP6.03
Rot. Bonds12

About 5-fluoro-4-tetradecan-7-ylpyrimidine

5-fluoro-4-tetradecan-7-ylpyrimidine (PubChem CID 137419083) has the molecular formula C18H31FN2 and a molecular weight of 294.46 g/mol. Its IUPAC name is 5-fluoro-4-tetradecan-7-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4-tetradecan-7-ylpyrimidine
PubChem CID137419083
Molecular FormulaC18H31FN2
Molecular Weight294.46 g/mol
Exact Mass294.25
IUPAC Name5-fluoro-4-tetradecan-7-ylpyrimidine
SMILESCCCCCCCC(CCCCCC)c1ncncc1F
InChIInChI=1S/C18H31FN2/c1-3-5-7-9-11-13-16(12-10-8-6-4-2)18-17(19)14-20-15-21-18/h14-16H,3-13H2,1-2H3
InChIKeyMKABBWFYERETCC-UHFFFAOYSA-N
XLogP6.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 56.03
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 5-fluoro-4-tetradecan-7-ylpyrimidine?
The IUPAC name of 5-fluoro-4-tetradecan-7-ylpyrimidine (CID 137419083) is 5-fluoro-4-tetradecan-7-ylpyrimidine.
What is the SMILES notation for 5-fluoro-4-tetradecan-7-ylpyrimidine?
The canonical SMILES for 5-fluoro-4-tetradecan-7-ylpyrimidine is CCCCCCCC(CCCCCC)c1ncncc1F.
What is the InChIKey of 5-fluoro-4-tetradecan-7-ylpyrimidine?
The InChIKey is MKABBWFYERETCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2/c1-3-5-7-9-11-13-16(12-10-8-6-4-2)18-17(19)14-20-15-21-18/h14-16H,3-13H2,1-2H3.
What are the key properties of 5-fluoro-4-tetradecan-7-ylpyrimidine?
5-fluoro-4-tetradecan-7-ylpyrimidine has a molecular weight of 294.46 g/mol, XLogP of 6.03, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-tetradecan-7-ylpyrimidine is sourced from PubChem (CID 137419083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).