7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane

C15H16N4OS — CID 133140244

IUPAC7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane
SMILESc1cnc(N2CC3(CC(Oc4cccnc4)CS3)C2)nc1
InChIInChI=1S/C15H16N4OS/c1-3-12(8-16-4-1)20-13-7-15(21-9-13)10-19(11-15)14-17-5-2-6-18-14/h1-6,8,13H,7,9-11H2
InChIKeyQUHVIOXVRDDNEP-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.01
Rot. Bonds3

About 7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane

7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane (PubChem CID 133140244) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane
PubChem CID133140244
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane
SMILESc1cnc(N2CC3(CC(Oc4cccnc4)CS3)C2)nc1
InChIInChI=1S/C15H16N4OS/c1-3-12(8-16-4-1)20-13-7-15(21-9-13)10-19(11-15)14-17-5-2-6-18-14/h1-6,8,13H,7,9-11H2
InChIKeyQUHVIOXVRDDNEP-UHFFFAOYSA-N
XLogP2.01
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677489
2-methylsulfonyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131662162
(7S)-7-pyridin-3-yloxy-2-pyridin-3-ylsulfonyl-5-thia-2-azaspiro[3.4]octane
CID 124779774
2-(pyridin-4-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131677717
pyridin-3-yl-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
CID 131678193
2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131645612
1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124788196
2-(dimethylamino)-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124804618
2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 131663105
(7S)-2-(furan-2-ylmethyl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
CID 124799097
(5-methylpyrazin-2-yl)-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 124913264
2-phenyl-1-[(7R)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124790921

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane?
The IUPAC name of 7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane (CID 133140244) is 7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane?
The canonical SMILES for 7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane is c1cnc(N2CC3(CC(Oc4cccnc4)CS3)C2)nc1.
What is the InChIKey of 7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane?
The InChIKey is QUHVIOXVRDDNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-12(8-16-4-1)20-13-7-15(21-9-13)10-19(11-15)14-17-5-2-6-18-14/h1-6,8,13H,7,9-11H2.
What are the key properties of 7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane?
7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane has a molecular weight of 300.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yloxy-2-pyrimidin-2-yl-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 133140244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).