[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone

C15H21N3O3 — CID 110159442

IUPAC[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCO[C@H]1CCN(C(=O)c2ccnc(C)n2)C[C@@]12CCCO2
InChIInChI=1S/C15H21N3O3/c1-11-16-7-4-12(17-11)14(19)18-8-5-13(20-2)15(10-18)6-3-9-21-15/h4,7,13H,3,5-6,8-10H2,1-2H3/t13-,15-/m0/s1
InChIKeyQUBNQXMXUIPRSI-ZFWWWQNUSA-N
MW291.35 g/mol
LogP1.20
Rot. Bonds2

About [(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone

[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone (PubChem CID 110159442) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone
PubChem CID110159442
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCO[C@H]1CCN(C(=O)c2ccnc(C)n2)C[C@@]12CCCO2
InChIInChI=1S/C15H21N3O3/c1-11-16-7-4-12(17-11)14(19)18-8-5-13(20-2)15(10-18)6-3-9-21-15/h4,7,13H,3,5-6,8-10H2,1-2H3/t13-,15-/m0/s1
InChIKeyQUBNQXMXUIPRSI-ZFWWWQNUSA-N
XLogP1.20
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone?
The IUPAC name of [(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone (CID 110159442) is [(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone?
The canonical SMILES for [(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone is CO[C@H]1CCN(C(=O)c2ccnc(C)n2)C[C@@]12CCCO2.
What is the InChIKey of [(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone?
The InChIKey is QUBNQXMXUIPRSI-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-16-7-4-12(17-11)14(19)18-8-5-13(20-2)15(10-18)6-3-9-21-15/h4,7,13H,3,5-6,8-10H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of [(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone?
[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 291.35 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 110159442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).