4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine

C14H17FN2O2 — CID 22599771

IUPAC4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine
SMILESCC#CCOc1cc(OC2CCCCC2F)ncn1
InChIInChI=1S/C14H17FN2O2/c1-2-3-8-18-13-9-14(17-10-16-13)19-12-7-5-4-6-11(12)15/h9-12H,4-8H2,1H3
InChIKeyCEEMYTAKKQTVRX-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.54
Rot. Bonds4

About 4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine

4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine (PubChem CID 22599771) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine
PubChem CID22599771
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine
SMILESCC#CCOc1cc(OC2CCCCC2F)ncn1
InChIInChI=1S/C14H17FN2O2/c1-2-3-8-18-13-9-14(17-10-16-13)19-12-7-5-4-6-11(12)15/h9-12H,4-8H2,1H3
InChIKeyCEEMYTAKKQTVRX-UHFFFAOYSA-N
XLogP2.54
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine?
The IUPAC name of 4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine (CID 22599771) is 4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine.
What is the SMILES notation for 4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine?
The canonical SMILES for 4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine is CC#CCOc1cc(OC2CCCCC2F)ncn1.
What is the InChIKey of 4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine?
The InChIKey is CEEMYTAKKQTVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-3-8-18-13-9-14(17-10-16-13)19-12-7-5-4-6-11(12)15/h9-12H,4-8H2,1H3.
What are the key properties of 4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine?
4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine has a molecular weight of 264.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-ynoxy-6-(2-fluorocyclohexyl)oxypyrimidine is sourced from PubChem (CID 22599771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).