(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane

C15H23FN4O — CID 97475253

IUPAC(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1C
InChIInChI=1S/C15H23FN4O/c1-19-13(11-21-2)3-4-15(19)5-7-20(8-6-15)14-17-9-12(16)10-18-14/h9-10,13H,3-8,11H2,1-2H3/t13-/m0/s1
InChIKeyFIIRYDROOCHAOU-ZDUSSCGKSA-N
MW294.37 g/mol
LogP1.70
Rot. Bonds3

About (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane

(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane (PubChem CID 97475253) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane
PubChem CID97475253
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane
SMILESCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1C
InChIInChI=1S/C15H23FN4O/c1-19-13(11-21-2)3-4-15(19)5-7-20(8-6-15)14-17-9-12(16)10-18-14/h9-10,13H,3-8,11H2,1-2H3/t13-/m0/s1
InChIKeyFIIRYDROOCHAOU-ZDUSSCGKSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Methoxyethyl)-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 97409279
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
8-(2-Methoxyethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746394
(5R,9R)-2-(5-fluoropyrimidin-2-yl)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
CID 97475584
N-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131660511
8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931
9-(5-Fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-9-azaspiro[4.5]decane
CID 131662077
2-(5-fluoropyrimidin-2-yl)-7-(methoxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 20682337
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane
CID 69492780
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 69492853
3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-8-azabicyclo[3.2.1]octane
CID 162443726
(1R,5S)-3-[(3S,4R)-1-(5-fluoropyrimidin-2-yl)-3-methoxypiperidin-4-yl]-8-azabicyclo[3.2.1]octane
CID 162702124

Frequently Asked Questions

What is the IUPAC name of (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane (CID 97475253) is (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane is COC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1C.
What is the InChIKey of (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane?
The InChIKey is FIIRYDROOCHAOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-19-13(11-21-2)3-4-15(19)5-7-20(8-6-15)14-17-9-12(16)10-18-14/h9-10,13H,3-8,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane?
(2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane has a molecular weight of 294.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-(5-fluoropyrimidin-2-yl)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97475253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).