(3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane

C17H24FN3O2 — CID 97418197

IUPAC(3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
SMILESFc1cnc(N2CCC3(CC2)CO[C@@H](COCC2CC2)C3)nc1
InChIInChI=1S/C17H24FN3O2/c18-14-8-19-16(20-9-14)21-5-3-17(4-6-21)7-15(23-12-17)11-22-10-13-1-2-13/h8-9,13,15H,1-7,10-12H2/t15-/m1/s1
InChIKeySODDSURAGYIFKT-OAHLLOKOSA-N
MW321.40 g/mol
LogP2.42
Rot. Bonds5

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

(3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 97418197) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is (3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
PubChem CID97418197
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name(3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
SMILESFc1cnc(N2CCC3(CC2)CO[C@@H](COCC2CC2)C3)nc1
InChIInChI=1S/C17H24FN3O2/c18-14-8-19-16(20-9-14)21-5-3-17(4-6-21)7-15(23-12-17)11-22-10-13-1-2-13/h8-9,13,15H,1-7,10-12H2/t15-/m1/s1
InChIKeySODDSURAGYIFKT-OAHLLOKOSA-N
XLogP2.42
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Ethoxy-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118740760
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane
CID 69492780
(3S)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
CID 97418099
(3R)-3-(ethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
CID 97418100
(3S)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane
CID 97418198
(5R)-9-(5-fluoropyrimidin-2-yl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97418491
(5S)-9-(5-fluoropyrimidin-2-yl)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97418492
(5R)-5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane
CID 97418621
(5S)-5-(ethoxymethyl)-9-(5-fluoropyrimidin-2-yl)-3-oxa-9-azaspiro[5.5]undecane
CID 97418622
(3R,5S)-3-(cyclopropylmethoxy)-7-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 97419933
(3R,5S)-7-(5-fluoropyrimidin-2-yl)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97419963
(3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 97483213

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane (CID 97418197) is (3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane is Fc1cnc(N2CCC3(CC2)CO[C@@H](COCC2CC2)C3)nc1.
What is the InChIKey of (3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is SODDSURAGYIFKT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-14-8-19-16(20-9-14)21-5-3-17(4-6-21)7-15(23-12-17)11-22-10-13-1-2-13/h8-9,13,15H,1-7,10-12H2/t15-/m1/s1.
What are the key properties of (3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane?
(3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 321.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopropylmethoxymethyl)-8-(5-fluoropyrimidin-2-yl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 97418197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).