5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one

C14H19N3O4 — CID 133128368

IUPAC5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one
SMILESCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cnc[nH]c1=O)CC2
InChIInChI=1S/C14H19N3O4/c1-21-11-6-10(18)14(11)2-4-17(5-3-14)13(20)9-7-15-8-16-12(9)19/h7-8,10-11,18H,2-6H2,1H3,(H,15,16,19)/t10-,11+/m0/s1
InChIKeyFXRFMPLIZOQPIS-WDEREUQCSA-N
MW293.32 g/mol
LogP-0.23
Rot. Bonds2

About 5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one

5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one (PubChem CID 133128368) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one
PubChem CID133128368
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one
SMILESCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cnc[nH]c1=O)CC2
InChIInChI=1S/C14H19N3O4/c1-21-11-6-10(18)14(11)2-4-17(5-3-14)13(20)9-7-15-8-16-12(9)19/h7-8,10-11,18H,2-6H2,1H3,(H,15,16,19)/t10-,11+/m0/s1
InChIKeyFXRFMPLIZOQPIS-WDEREUQCSA-N
XLogP-0.23
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one (CID 133128368) is 5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one is CO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cnc[nH]c1=O)CC2.
What is the InChIKey of 5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is FXRFMPLIZOQPIS-WDEREUQCSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-11-6-10(18)14(11)2-4-17(5-3-14)13(20)9-7-15-8-16-12(9)19/h7-8,10-11,18H,2-6H2,1H3,(H,15,16,19)/t10-,11+/m0/s1.
What are the key properties of 5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one?
5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 293.32 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 133128368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).