4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one

C9H12N4O3 — CID 130330274

IUPAC4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one
SMILESNc1ccn(C2OC3(CN3)CC2O)c(=O)n1
InChIInChI=1S/C9H12N4O3/c10-6-1-2-13(8(15)12-6)7-5(14)3-9(16-7)4-11-9/h1-2,5,7,11,14H,3-4H2,(H2,10,12,15)
InChIKeyFPLNZCSGGWXHKH-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.60
Rot. Bonds1

About 4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one

4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one (PubChem CID 130330274) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one
PubChem CID130330274
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one
SMILESNc1ccn(C2OC3(CN3)CC2O)c(=O)n1
InChIInChI=1S/C9H12N4O3/c10-6-1-2-13(8(15)12-6)7-5(14)3-9(16-7)4-11-9/h1-2,5,7,11,14H,3-4H2,(H2,10,12,15)
InChIKeyFPLNZCSGGWXHKH-UHFFFAOYSA-N
XLogP-1.60
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[3,4-dihydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 22677597
4-amino-1-[1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one
CID 141009241
4-amino-1-[(2S,3S,5R,7R)-6,6-difluoro-2,7-dihydroxy-4-oxaspiro[2.4]heptan-5-yl]pyrimidin-2-one
CID 149183928
4-amino-1-[(2R,3R,4S)-4-ethynyl-3,4-dihydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 5276957
4-amino-1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 160719879
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;piperazine
CID 174523119
4-amino-1-[(2R,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methylsulfanyloxolan-2-yl]pyrimidin-2-one
CID 71761488
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-(trifluoromethyl)oxolan-2-yl]pyrimidin-2-one
CID 118596007
4-amino-1-[(2R,3R,4R,5R)-3-fluoro-5-(fluoromethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71621665

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one (CID 130330274) is 4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one is Nc1ccn(C2OC3(CN3)CC2O)c(=O)n1.
What is the InChIKey of 4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one?
The InChIKey is FPLNZCSGGWXHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-6-1-2-13(8(15)12-6)7-5(14)3-9(16-7)4-11-9/h1-2,5,7,11,14H,3-4H2,(H2,10,12,15).
What are the key properties of 4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one?
4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one has a molecular weight of 224.22 g/mol, XLogP of -1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one is sourced from PubChem (CID 130330274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).