(8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane

C15H17N5O2 — CID 124911110

IUPAC(8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESc1cnc(N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)nc1
InChIInChI=1S/C15H17N5O2/c1-3-18-14(19-4-1)20-10-15(11-20)8-12(2-7-21-15)22-13-9-16-5-6-17-13/h1,3-6,9,12H,2,7-8,10-11H2/t12-/m0/s1
InChIKeyIBTWBGVRLJPPHO-LBPRGKRZSA-N
MW299.33 g/mol
LogP1.08
Rot. Bonds3

About (8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane

(8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124911110) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124911110
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
SMILESc1cnc(N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)nc1
InChIInChI=1S/C15H17N5O2/c1-3-18-14(19-4-1)20-10-15(11-20)8-12(2-7-21-15)22-13-9-16-5-6-17-13/h1,3-6,9,12H,2,7-8,10-11H2/t12-/m0/s1
InChIKeyIBTWBGVRLJPPHO-LBPRGKRZSA-N
XLogP1.08
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Pyrazin-2-yloxypiperidin-1-yl)pyrimidine
CID 95811454
(8R)-2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124783382
(8S)-2-(5-fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124783383
2-(5-Fluoropyrimidin-2-yl)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 131648866
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
5-Fluoro-2-{4-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 154575549
8-Pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155845002
5-Fluoro-2-{3-[(pyrazin-2-yloxy)methyl]piperidin-1-yl}pyrimidine
CID 163352672
2-Methyl-4-(4-pyrazin-2-yloxypiperidin-1-yl)pyrimidine
CID 95829208
(5R)-5-(pyrazin-2-yloxymethyl)-9-pyrimidin-2-yl-3-oxa-9-azaspiro[5.5]undecane
CID 97475519

Frequently Asked Questions

What is the IUPAC name of (8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane (CID 124911110) is (8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is c1cnc(N2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)nc1.
What is the InChIKey of (8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is IBTWBGVRLJPPHO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-3-18-14(19-4-1)20-10-15(11-20)8-12(2-7-21-15)22-13-9-16-5-6-17-13/h1,3-6,9,12H,2,7-8,10-11H2/t12-/m0/s1.
What are the key properties of (8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane?
(8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 299.33 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124911110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).