(3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane

C15H22FN3O2 — CID 97418099

IUPAC(3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
SMILESCCOC[C@@H]1CC2(CCN(c3ncc(F)cn3)CC2)CO1
InChIInChI=1S/C15H22FN3O2/c1-2-20-10-13-7-15(11-21-13)3-5-19(6-4-15)14-17-8-12(16)9-18-14/h8-9,13H,2-7,10-11H2,1H3/t13-/m0/s1
InChIKeyMRHMYLSPXNPXJN-ZDUSSCGKSA-N
MW295.36 g/mol
LogP2.03
Rot. Bonds4

About (3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane

(3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 97418099) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is (3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID97418099
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC Name(3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
SMILESCCOC[C@@H]1CC2(CCN(c3ncc(F)cn3)CC2)CO1
InChIInChI=1S/C15H22FN3O2/c1-2-20-10-13-7-15(11-21-13)3-5-19(6-4-15)14-17-8-12(16)9-18-14/h8-9,13H,2-7,10-11H2,1H3/t13-/m0/s1
InChIKeyMRHMYLSPXNPXJN-ZDUSSCGKSA-N
XLogP2.03
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Methylpyrimidin-2-YL)-9-oxa-2-azaspiro[5.5]undecane
CID 72899435
[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
3-Ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118740760
3-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-1,1-dimethylurea
CID 97477281
5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine
CID 171359687
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane
CID 69492780
8-[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]-1-oxa-8-azaspiro[4.5]decan-3-OL
CID 72864148
7-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.5]decane
CID 72892272
(3S)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 97120609
(3R)-8-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 97120610
[(3R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97145587
[(3S)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 97145588

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane (CID 97418099) is (3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane is CCOC[C@@H]1CC2(CCN(c3ncc(F)cn3)CC2)CO1.
What is the InChIKey of (3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is MRHMYLSPXNPXJN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-2-20-10-13-7-15(11-21-13)3-5-19(6-4-15)14-17-8-12(16)9-18-14/h8-9,13H,2-7,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane?
(3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 295.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97418099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).