[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone

C14H19N3O3 — CID 97419651

IUPAC[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
SMILESCO[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccncn3)C2)C1
InChIInChI=1S/C14H19N3O3/c1-19-11-7-14(20-8-11)4-2-6-17(9-14)13(18)12-3-5-15-10-16-12/h3,5,10-11H,2,4,6-9H2,1H3/t11-,14-/m0/s1
InChIKeyFOXBRKPHPNIIAZ-FZMZJTMJSA-N
MW277.32 g/mol
LogP0.89
Rot. Bonds2

About [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone

[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone (PubChem CID 97419651) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
PubChem CID97419651
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
SMILESCO[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccncn3)C2)C1
InChIInChI=1S/C14H19N3O3/c1-19-11-7-14(20-8-11)4-2-6-17(9-14)13(18)12-3-5-15-10-16-12/h3,5,10-11H,2,4,6-9H2,1H3/t11-,14-/m0/s1
InChIKeyFOXBRKPHPNIIAZ-FZMZJTMJSA-N
XLogP0.89
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone with MolForge

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Related Compounds

[(2S,3aS,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97367286
[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrimidin-4-ylmethanone
CID 97369188
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97369347
[(2S,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 97369453
[(2R,3aS,7aS)-2-methyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-pyrimidin-4-ylmethanone
CID 97369659
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97419481
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone
CID 97419711
4-[(2-Isopropylpyrimidin-4-yl)carbonyl]-2,2-dimethylmorpholine
CID 91828457
4-{[4-(Isopropoxymethyl)piperidin-1-yl]carbonyl}-2-isopropylpyrimidine
CID 118794982
(2-cyclopentylpyrimidin-4-yl)-[(2R)-2-(methoxymethyl)piperidin-1-yl]methanone
CID 164642625
{4-[(2S)-4,4-difluoro-2-(methoxymethyl)tetrahydro-1H-pyrrol-1-yl]piperidino}(4-pyrimidinyl)methanone
CID 124051008
2-isopropyl-N-methyl-N-(tetrahydro-2H-pyran-2-ylmethyl)pyrimidine-4-carboxamide
CID 56870251

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone (CID 97419651) is [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone is CO[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccncn3)C2)C1.
What is the InChIKey of [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone?
The InChIKey is FOXBRKPHPNIIAZ-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-11-7-14(20-8-11)4-2-6-17(9-14)13(18)12-3-5-15-10-16-12/h3,5,10-11H,2,4,6-9H2,1H3/t11-,14-/m0/s1.
What are the key properties of [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone?
[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone has a molecular weight of 277.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 97419651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).