4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one

C9H13N3O3 — CID 170014967

IUPAC4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one
SMILESCC1CCC(n2ccc(ON)nc2=O)O1
InChIInChI=1S/C9H13N3O3/c1-6-2-3-8(14-6)12-5-4-7(15-10)11-9(12)13/h4-6,8H,2-3,10H2,1H3
InChIKeyACIVXLAKNGNVMM-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.19
Rot. Bonds2

About 4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one

4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one (PubChem CID 170014967) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one
PubChem CID170014967
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one
SMILESCC1CCC(n2ccc(ON)nc2=O)O1
InChIInChI=1S/C9H13N3O3/c1-6-2-3-8(14-6)12-5-4-7(15-10)11-9(12)13/h4-6,8H,2-3,10H2,1H3
InChIKeyACIVXLAKNGNVMM-UHFFFAOYSA-N
XLogP0.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane
CID 167445812
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
1-(5-methyloxolan-2-yl)-4-sulfanylidenepyrimidin-2-one
CID 153342147
[[5-(4-aminooxy-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 170014744
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 24763733
4-amino-1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidin-2-one
CID 23261046
4-amino-1-[(2R,5S)-5-(iodomethyl)oxolan-2-yl]pyrimidin-2-one
CID 124518306
4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
CID 142117937
4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 166811766
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
CID 13188950
4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70382786

Frequently Asked Questions

What is the IUPAC name of 4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one (CID 170014967) is 4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one is CC1CCC(n2ccc(ON)nc2=O)O1.
What is the InChIKey of 4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one?
The InChIKey is ACIVXLAKNGNVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-2-3-8(14-6)12-5-4-7(15-10)11-9(12)13/h4-6,8H,2-3,10H2,1H3.
What are the key properties of 4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one?
4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one has a molecular weight of 211.22 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxy-1-(5-methyloxolan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 170014967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).