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

C17H21N5O3 — CID 124913105

IUPAC(8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1cc(N2CC3(C[C@@H](Oc4cncc(C)n4)CCO3)C2)ncn1
InChIInChI=1S/C17H21N5O3/c1-12-7-18-8-16(21-12)25-13-3-4-24-17(6-13)9-22(10-17)14-5-15(23-2)20-11-19-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyFPTJGOKUJHRVED-ZDUSSCGKSA-N
MW343.39 g/mol
LogP1.40
Rot. Bonds4

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

(8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124913105) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124913105
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
SMILESCOc1cc(N2CC3(C[C@@H](Oc4cncc(C)n4)CCO3)C2)ncn1
InChIInChI=1S/C17H21N5O3/c1-12-7-18-8-16(21-12)25-13-3-4-24-17(6-13)9-22(10-17)14-5-15(23-2)20-11-19-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3/t13-/m0/s1
InChIKeyFPTJGOKUJHRVED-ZDUSSCGKSA-N
XLogP1.40
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-Fluoropyrimidin-2-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
CID 133143147
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
2-[4-[4-(5,6-Dimethylpyrazin-2-yl)oxybutyl]piperazin-1-yl]-4,6-dimethoxypyrimidine
CID 139654546
(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
(8S)-2-(6-methoxypyrimidin-4-yl)-8-(2-pyrazin-2-yloxyethyl)-5-oxa-2-azaspiro[3.5]nonane
CID 124799364
N,N-dimethyl-6-[(8S)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]pyrimidin-4-amine
CID 124816204

Frequently Asked Questions

What is the IUPAC name of (8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane (CID 124913105) is (8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane is COc1cc(N2CC3(C[C@@H](Oc4cncc(C)n4)CCO3)C2)ncn1.
What is the InChIKey of (8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is FPTJGOKUJHRVED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-7-18-8-16(21-12)25-13-3-4-24-17(6-13)9-22(10-17)14-5-15(23-2)20-11-19-14/h5,7-8,11,13H,3-4,6,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?
(8S)-2-(6-methoxypyrimidin-4-yl)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 343.39 g/mol, XLogP of 1.40, 4 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-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124913105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).