(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane

C19H28FN3O3 — CID 124781648

IUPAC(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(C[C@@H](CCOCC4CCOCC4)CCO3)C2)nc1
InChIInChI=1S/C19H28FN3O3/c20-17-10-21-18(22-11-17)23-13-19(14-23)9-15(4-8-26-19)1-7-25-12-16-2-5-24-6-3-16/h10-11,15-16H,1-9,12-14H2/t15-/m0/s1
InChIKeyAFCYXPHRDVCENN-HNNXBMFYSA-N
MW365.45 g/mol
LogP2.43
Rot. Bonds6

About (8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124781648) has the molecular formula C19H28FN3O3 and a molecular weight of 365.45 g/mol. Its IUPAC name is (8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124781648
Molecular FormulaC19H28FN3O3
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Name(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
SMILESFc1cnc(N2CC3(C[C@@H](CCOCC4CCOCC4)CCO3)C2)nc1
InChIInChI=1S/C19H28FN3O3/c20-17-10-21-18(22-11-17)23-13-19(14-23)9-15(4-8-26-19)1-7-25-12-16-2-5-24-6-3-16/h10-11,15-16H,1-9,12-14H2/t15-/m0/s1
InChIKeyAFCYXPHRDVCENN-HNNXBMFYSA-N
XLogP2.43
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931
4-(5-Fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372303
(3S)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 97385578
(3R)-8-(5-fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 97385579
(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124781649
(8S)-2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124783369
(8R)-2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124783370
(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124784128
(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124784129
2-[2-[(8S)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone
CID 124785922
2-[2-[(8R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-1-pyrrolidin-1-ylethanone
CID 124785923
2-[2-[(8R)-2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-8-yl]ethoxy]-N,N-dimethylacetamide
CID 124804003

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane (CID 124781648) is (8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane is Fc1cnc(N2CC3(C[C@@H](CCOCC4CCOCC4)CCO3)C2)nc1.
What is the InChIKey of (8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is AFCYXPHRDVCENN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28FN3O3/c20-17-10-21-18(22-11-17)23-13-19(14-23)9-15(4-8-26-19)1-7-25-12-16-2-5-24-6-3-16/h10-11,15-16H,1-9,12-14H2/t15-/m0/s1.
What are the key properties of (8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 365.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124781648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).