4-fluoro-6-heptoxypyrimidine

C11H17FN2O — CID 115416040

IUPAC4-fluoro-6-heptoxypyrimidine
SMILESCCCCCCCOc1cc(F)ncn1
InChIInChI=1S/C11H17FN2O/c1-2-3-4-5-6-7-15-11-8-10(12)13-9-14-11/h8-9H,2-7H2,1H3
InChIKeyKMUUPTIKWUTXPV-UHFFFAOYSA-N
MW212.27 g/mol
LogP2.96
Rot. Bonds7

About 4-fluoro-6-heptoxypyrimidine

4-fluoro-6-heptoxypyrimidine (PubChem CID 115416040) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-fluoro-6-heptoxypyrimidine.

Molecular Properties

Compound Name4-fluoro-6-heptoxypyrimidine
PubChem CID115416040
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name4-fluoro-6-heptoxypyrimidine
SMILESCCCCCCCOc1cc(F)ncn1
InChIInChI=1S/C11H17FN2O/c1-2-3-4-5-6-7-15-11-8-10(12)13-9-14-11/h8-9H,2-7H2,1H3
InChIKeyKMUUPTIKWUTXPV-UHFFFAOYSA-N
XLogP2.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-heptoxypyrimidine?
The IUPAC name of 4-fluoro-6-heptoxypyrimidine (CID 115416040) is 4-fluoro-6-heptoxypyrimidine.
What is the SMILES notation for 4-fluoro-6-heptoxypyrimidine?
The canonical SMILES for 4-fluoro-6-heptoxypyrimidine is CCCCCCCOc1cc(F)ncn1.
What is the InChIKey of 4-fluoro-6-heptoxypyrimidine?
The InChIKey is KMUUPTIKWUTXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-2-3-4-5-6-7-15-11-8-10(12)13-9-14-11/h8-9H,2-7H2,1H3.
What are the key properties of 4-fluoro-6-heptoxypyrimidine?
4-fluoro-6-heptoxypyrimidine has a molecular weight of 212.27 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-heptoxypyrimidine is sourced from PubChem (CID 115416040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).