2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane

C13H19FN4O — CID 97472501

IUPAC2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane
SMILESCOCCN1CCC2(C1)CN(c1ncc(F)cn1)C2
InChIInChI=1S/C13H19FN4O/c1-19-5-4-17-3-2-13(8-17)9-18(10-13)12-15-6-11(14)7-16-12/h6-7H,2-5,8-10H2,1H3
InChIKeyKUZIDMUZBNVNBU-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.77
Rot. Bonds4

About 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane

2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane (PubChem CID 97472501) has the molecular formula C13H19FN4O and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane
PubChem CID97472501
Molecular FormulaC13H19FN4O
Molecular Weight266.32 g/mol
Exact Mass266.15
IUPAC Name2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane
SMILESCOCCN1CCC2(C1)CN(c1ncc(F)cn1)C2
InChIInChI=1S/C13H19FN4O/c1-19-5-4-17-3-2-13(8-17)9-18(10-13)12-15-6-11(14)7-16-12/h6-7H,2-5,8-10H2,1H3
InChIKeyKUZIDMUZBNVNBU-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane (CID 97472501) is 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane is COCCN1CCC2(C1)CN(c1ncc(F)cn1)C2.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane?
The InChIKey is KUZIDMUZBNVNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O/c1-19-5-4-17-3-2-13(8-17)9-18(10-13)12-15-6-11(14)7-16-12/h6-7H,2-5,8-10H2,1H3.
What are the key properties of 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane?
2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane has a molecular weight of 266.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 97472501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).