(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

C17H25N3O3 — CID 124965745

IUPAC(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCO[C@H]1CCCOC12CCN(C(=O)c1cnc(C)nc1C)CC2
InChIInChI=1S/C17H25N3O3/c1-12-14(11-18-13(2)19-12)16(21)20-8-6-17(7-9-20)15(22-3)5-4-10-23-17/h11,15H,4-10H2,1-3H3/t15-/m0/s1
InChIKeyIHAUDOGYZWPHIH-HNNXBMFYSA-N
MW319.40 g/mol
LogP1.89
Rot. Bonds2

About (2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone

(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (PubChem CID 124965745) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
PubChem CID124965745
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
SMILESCO[C@H]1CCCOC12CCN(C(=O)c1cnc(C)nc1C)CC2
InChIInChI=1S/C17H25N3O3/c1-12-14(11-18-13(2)19-12)16(21)20-8-6-17(7-9-20)15(22-3)5-4-10-23-17/h11,15H,4-10H2,1-3H3/t15-/m0/s1
InChIKeyIHAUDOGYZWPHIH-HNNXBMFYSA-N
XLogP1.89
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone
CID 74240903
(1-ethyl-5-methylpyrazol-4-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 74239484
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97198788
[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
CID 124969063
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 97201836
[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 97186589
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 97186590
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 97454136
(3-fluorophenyl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124967902
(6-imidazol-1-yl-3-pyridinyl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124963732
(1-ethylindol-3-yl)-(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110159825
1,3-benzodioxol-5-yl-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97186942

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone (CID 124965745) is (2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is CO[C@H]1CCCOC12CCN(C(=O)c1cnc(C)nc1C)CC2.
What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is IHAUDOGYZWPHIH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-14(11-18-13(2)19-12)16(21)20-8-6-17(7-9-20)15(22-3)5-4-10-23-17/h11,15H,4-10H2,1-3H3/t15-/m0/s1.
What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone?
(2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 319.40 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrimidin-5-yl)-[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 124965745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).