(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

C18H23N5O3 — CID 124799364

IUPAC(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1cc(N2CC3(C[C@H](CCOc4cnccn4)CCO3)C2)ncn1
InChIInChI=1S/C18H23N5O3/c1-24-16-8-15(21-13-22-16)23-11-18(12-23)9-14(3-7-26-18)2-6-25-17-10-19-4-5-20-17/h4-5,8,10,13-14H,2-3,6-7,9,11-12H2,1H3/t14-/m1/s1
InChIKeyYPAOPSJEEMXSFE-CQSZACIVSA-N
MW357.41 g/mol
LogP1.73
Rot. Bonds6

About (8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane

(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124799364) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124799364
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1cc(N2CC3(C[C@H](CCOc4cnccn4)CCO3)C2)ncn1
InChIInChI=1S/C18H23N5O3/c1-24-16-8-15(21-13-22-16)23-11-18(12-23)9-14(3-7-26-18)2-6-25-17-10-19-4-5-20-17/h4-5,8,10,13-14H,2-3,6-7,9,11-12H2,1H3/t14-/m1/s1
InChIKeyYPAOPSJEEMXSFE-CQSZACIVSA-N
XLogP1.73
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-Fluoropyrimidin-2-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 133139349
2-(6-Methoxypyrimidin-4-yl)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155851968
2-(6-Methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155863762
2-(6-Methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155865541
(8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124793927
(8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124793928
(8R)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124797575
(8S)-2-(6-methoxypyrimidin-4-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124797576
(8R)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124799362
(8R)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 124913104
(8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 124913105
(8R)-8-[2-(6-methylpyrazin-2-yl)oxyethyl]-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124913113

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane (CID 124799364) is (8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is COc1cc(N2CC3(C[C@H](CCOc4cnccn4)CCO3)C2)ncn1.
What is the InChIKey of (8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is YPAOPSJEEMXSFE-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-24-16-8-15(21-13-22-16)23-11-18(12-23)9-14(3-7-26-18)2-6-25-17-10-19-4-5-20-17/h4-5,8,10,13-14H,2-3,6-7,9,11-12H2,1H3/t14-/m1/s1.
What are the key properties of (8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 357.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124799364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).