4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one

C9H12N4O3 — CID 142117937

IUPAC4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn(C2CCC(CN=O)O2)c(=O)n1
InChIInChI=1S/C9H12N4O3/c10-7-3-4-13(9(14)12-7)8-2-1-6(16-8)5-11-15/h3-4,6,8H,1-2,5H2,(H2,10,12,14)
InChIKeyOSXQEVDHRIJAKE-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.27
Rot. Bonds3

About 4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 142117937) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID142117937
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn(C2CCC(CN=O)O2)c(=O)n1
InChIInChI=1S/C9H12N4O3/c10-7-3-4-13(9(14)12-7)8-2-1-6(16-8)5-11-15/h3-4,6,8H,1-2,5H2,(H2,10,12,14)
InChIKeyOSXQEVDHRIJAKE-UHFFFAOYSA-N
XLogP0.27
TPSA99.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 166811766
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70382786
[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate;azane
CID 51051540
[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 129117968
[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 90708490
[[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;azane
CID 51051543
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
CID 130458181
1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 144767264

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one (CID 142117937) is 4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one is Nc1ccn(C2CCC(CN=O)O2)c(=O)n1.
What is the InChIKey of 4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is OSXQEVDHRIJAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-7-3-4-13(9(14)12-7)8-2-1-6(16-8)5-11-15/h3-4,6,8H,1-2,5H2,(H2,10,12,14).
What are the key properties of 4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 224.22 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 142117937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).