(3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane

C19H24N4O3 — CID 97486863

IUPAC(3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
SMILESCOc1cc(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)ncn1
InChIInChI=1S/C19H24N4O3/c1-24-18-9-17(21-14-22-18)23-8-4-6-19(13-23)10-16(12-26-19)25-11-15-5-2-3-7-20-15/h2-3,5,7,9,14,16H,4,6,8,10-13H2,1H3/t16-,19+/m1/s1
InChIKeyKPJJVFVVEDSWEF-APWZRJJASA-N
MW356.43 g/mol
LogP2.22
Rot. Bonds5

About (3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane

(3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane (PubChem CID 97486863) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
PubChem CID97486863
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane
SMILESCOc1cc(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)ncn1
InChIInChI=1S/C19H24N4O3/c1-24-18-9-17(21-14-22-18)23-8-4-6-19(13-23)10-16(12-26-19)25-11-15-5-2-3-7-20-15/h2-3,5,7,9,14,16H,4,6,8,10-13H2,1H3/t16-,19+/m1/s1
InChIKeyKPJJVFVVEDSWEF-APWZRJJASA-N
XLogP2.22
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,5S)-3-(pyridin-2-ylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155844223
(3R)-8-methyl-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97419146
(2-methylpyrazol-3-yl)-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419569
phenyl-[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97474956
(3S,5S)-9-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 155852021
2-cyclopropyl-1-[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97476636
(3R,5S)-3-(pyridin-2-ylmethoxy)-9-(1,3-thiazol-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane
CID 97419554
(3R,5S)-3-(pyridin-2-ylmethoxy)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171694988
(1-methylpyrazol-3-yl)-[(3R,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419568
(3S,5R)-3-ethoxy-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 97489632
[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyrimidin-2-ylmethanone
CID 97477576
(3S)-8-(5-fluoropyrimidin-2-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97476702

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane (CID 97486863) is (3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane is COc1cc(N2CCC[C@]3(C[C@@H](OCc4ccccn4)CO3)C2)ncn1.
What is the InChIKey of (3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is KPJJVFVVEDSWEF-APWZRJJASA-N. The full InChI is InChI=1S/C19H24N4O3/c1-24-18-9-17(21-14-22-18)23-8-4-6-19(13-23)10-16(12-26-19)25-11-15-5-2-3-7-20-15/h2-3,5,7,9,14,16H,4,6,8,10-13H2,1H3/t16-,19+/m1/s1.
What are the key properties of (3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane?
(3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 356.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-9-(6-methoxypyrimidin-4-yl)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 97486863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).