(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane

C18H23N5O2 — CID 124913114

IUPAC(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1cncc(OCC[C@@H]2CCOC3(C2)CN(c2ncccn2)C3)n1
InChIInChI=1S/C18H23N5O2/c1-14-10-19-11-16(22-14)24-7-3-15-4-8-25-18(9-15)12-23(13-18)17-20-5-2-6-21-17/h2,5-6,10-11,15H,3-4,7-9,12-13H2,1H3/t15-/m1/s1
InChIKeyGFUSFIWTUCZUGX-OAHLLOKOSA-N
MW341.42 g/mol
LogP2.03
Rot. Bonds5

About (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane

(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124913114) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124913114
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1cncc(OCC[C@@H]2CCOC3(C2)CN(c2ncccn2)C3)n1
InChIInChI=1S/C18H23N5O2/c1-14-10-19-11-16(22-14)24-7-3-15-4-8-25-18(9-15)12-23(13-18)17-20-5-2-6-21-17/h2,5-6,10-11,15H,3-4,7-9,12-13H2,1H3/t15-/m1/s1
InChIKeyGFUSFIWTUCZUGX-OAHLLOKOSA-N
XLogP2.03
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-Fluoropyrimidin-2-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane
CID 133136908
2-(5-Fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 133139349
2-(5-Fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 133143147
8-[2-(6-Methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155837275
(5R)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane
CID 97475519
(5S)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane
CID 97475520
[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 124792240
[(8S)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 124792241
(8R)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124799362
(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124799364
N,N-dimethyl-6-[(8R)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124813858
N,N-dimethyl-6-[(8S)-8-(2-pyrimidin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124813860

Frequently Asked Questions

What is the IUPAC name of (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (CID 124913114) is (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is Cc1cncc(OCC[C@@H]2CCOC3(C2)CN(c2ncccn2)C3)n1.
What is the InChIKey of (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is GFUSFIWTUCZUGX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14-10-19-11-16(22-14)24-7-3-15-4-8-25-18(9-15)12-23(13-18)17-20-5-2-6-21-17/h2,5-6,10-11,15H,3-4,7-9,12-13H2,1H3/t15-/m1/s1.
What are the key properties of (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
(8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 341.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124913114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).