(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone

C12H15N3O2S — CID 131647950

IUPAC(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone
SMILESCOC1CSC2(C1)CN(C(=O)c1ncccn1)C2
InChIInChI=1S/C12H15N3O2S/c1-17-9-5-12(18-6-9)7-15(8-12)11(16)10-13-3-2-4-14-10/h2-4,9H,5-8H2,1H3
InChIKeyFMTAGTFURWOQNU-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.82
Rot. Bonds2

About (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone

(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone (PubChem CID 131647950) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone
PubChem CID131647950
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone
SMILESCOC1CSC2(C1)CN(C(=O)c1ncccn1)C2
InChIInChI=1S/C12H15N3O2S/c1-17-9-5-12(18-6-9)7-15(8-12)11(16)10-13-3-2-4-14-10/h2-4,9H,5-8H2,1H3
InChIKeyFMTAGTFURWOQNU-UHFFFAOYSA-N
XLogP0.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(7R)-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 124916047
[(7S)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone
CID 124810905
(3-hydroxyphenyl)-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131692208
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155839474
[7-(pyridin-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-pyrimidin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155828262
1-[(7S)-7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl]-2-(2-methylphenoxy)ethanone
CID 124807830
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(1-methylindol-5-yl)methanone
CID 131692294
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-(3-methyl-5-propyl-1,2-oxazol-4-yl)methanone
CID 131692295
2-(4-methoxyphenyl)-1-(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)ethanone
CID 131649083
(5-chloro-1-benzofuran-2-yl)-[(7S)-7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124790502
pyridin-2-yl-[7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 131677620
[7-[(3-fluoro-2-pyridinyl)oxy]-5-thia-2-azaspiro[3.4]octan-2-yl]-(1-methylpyrazol-3-yl)methanone
CID 133141279

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone (CID 131647950) is (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone is COC1CSC2(C1)CN(C(=O)c1ncccn1)C2.
What is the InChIKey of (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone?
The InChIKey is FMTAGTFURWOQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-17-9-5-12(18-6-9)7-15(8-12)11(16)10-13-3-2-4-14-10/h2-4,9H,5-8H2,1H3.
What are the key properties of (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone?
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone has a molecular weight of 265.34 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 131647950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).