7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane

C15H23FN4O — CID 118739101

IUPAC7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
SMILESCOCCN1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C15H23FN4O/c1-21-8-7-19-6-4-15(11-19)3-2-5-20(12-15)14-17-9-13(16)10-18-14/h9-10H,2-8,11-12H2,1H3
InChIKeyNGHBZECWQYBRRX-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.55
Rot. Bonds4

About 7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane

7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane (PubChem CID 118739101) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is 7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
PubChem CID118739101
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
SMILESCOCCN1CCC2(CCCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C15H23FN4O/c1-21-8-7-19-6-4-15(11-19)3-2-5-20(12-15)14-17-9-13(16)10-18-14/h9-10H,2-8,11-12H2,1H3
InChIKeyNGHBZECWQYBRRX-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane (CID 118739101) is 7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane is COCCN1CCC2(CCCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of 7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane?
The InChIKey is NGHBZECWQYBRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-21-8-7-19-6-4-15(11-19)3-2-5-20(12-15)14-17-9-13(16)10-18-14/h9-10H,2-8,11-12H2,1H3.
What are the key properties of 7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane?
7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane has a molecular weight of 294.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 118739101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).