(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane

C15H19N5O2S — CID 124893569

IUPAC(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(O[C@@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1
InChIInChI=1S/C15H19N5O2S/c1-10-3-5-16-13(17-10)22-12-4-6-21-15(7-12)8-20(9-15)14-19-18-11(2)23-14/h3,5,12H,4,6-9H2,1-2H3/t12-/m1/s1
InChIKeyNGCCPQFIVDFBDY-GFCCVEGCSA-N
MW333.42 g/mol
LogP1.76
Rot. Bonds3

About (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane

(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124893569) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124893569
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1ccnc(O[C@@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1
InChIInChI=1S/C15H19N5O2S/c1-10-3-5-16-13(17-10)22-12-4-6-21-15(7-12)8-20(9-15)14-19-18-11(2)23-14/h3,5,12H,4,6-9H2,1-2H3/t12-/m1/s1
InChIKeyNGCCPQFIVDFBDY-GFCCVEGCSA-N
XLogP1.76
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane with MolForge

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Related Compounds

8-(4-Methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155860835
(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124233660
(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124233661
(8S)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124235853
(8R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124235854
(8S)-8-(4-methylpyrimidin-2-yl)oxy-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124243492
(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-[(1-propan-2-ylpyrazol-4-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124243493
(8R)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124789984
(8S)-8-methoxy-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124789987
(8R)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124893290
(8S)-8-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
CID 124893291
(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124893561

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane (CID 124893569) is (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane is Cc1ccnc(O[C@@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1.
What is the InChIKey of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is NGCCPQFIVDFBDY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-3-5-16-13(17-10)22-12-4-6-21-15(7-12)8-20(9-15)14-19-18-11(2)23-14/h3,5,12H,4,6-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
(8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 333.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(4-methylpyrimidin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124893569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).