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

C16H25FN4O — CID 97475273

IUPAC(2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane
SMILESCCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1C
InChIInChI=1S/C16H25FN4O/c1-3-22-12-14-4-5-16(20(14)2)6-8-21(9-7-16)15-18-10-13(17)11-19-15/h10-11,14H,3-9,12H2,1-2H3/t14-/m0/s1
InChIKeyXULDVWCFZIINSW-AWEZNQCLSA-N
MW308.40 g/mol
LogP2.09
Rot. Bonds4

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

(2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane (PubChem CID 97475273) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is (2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane
PubChem CID97475273
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC Name(2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane
SMILESCCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1C
InChIInChI=1S/C16H25FN4O/c1-3-22-12-14-4-5-16(20(14)2)6-8-21(9-7-16)15-18-10-13(17)11-19-15/h10-11,14H,3-9,12H2,1-2H3/t14-/m0/s1
InChIKeyXULDVWCFZIINSW-AWEZNQCLSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
8-(Cyclopropylmethyl)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118746091
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
(3R,4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 164640940
(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)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane?
The IUPAC name of (2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane (CID 97475273) is (2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for (2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane?
The canonical SMILES for (2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane is CCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1C.
What is the InChIKey of (2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane?
The InChIKey is XULDVWCFZIINSW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-3-22-12-14-4-5-16(20(14)2)6-8-21(9-7-16)15-18-10-13(17)11-19-15/h10-11,14H,3-9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane?
(2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane has a molecular weight of 308.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-1-methyl-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97475273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).