[5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid

C10H16N3O4P — CID 59942649

IUPAC[5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid
SMILESCP(=O)(O)C1CCC(Cn2ccc(N)nc2=O)O1
InChIInChI=1S/C10H16N3O4P/c1-18(15,16)9-3-2-7(17-9)6-13-5-4-8(11)12-10(13)14/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)(H2,11,12,14)
InChIKeyKLGQYCDRUYEXPE-UHFFFAOYSA-N
MW273.23 g/mol
LogP0.23
Rot. Bonds3

About [5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid

[5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid (PubChem CID 59942649) has the molecular formula C10H16N3O4P and a molecular weight of 273.23 g/mol. Its IUPAC name is [5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid.

Molecular Properties

Compound Name[5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid
PubChem CID59942649
Molecular FormulaC10H16N3O4P
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name[5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid
SMILESCP(=O)(O)C1CCC(Cn2ccc(N)nc2=O)O1
InChIInChI=1S/C10H16N3O4P/c1-18(15,16)9-3-2-7(17-9)6-13-5-4-8(11)12-10(13)14/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)(H2,11,12,14)
InChIKeyKLGQYCDRUYEXPE-UHFFFAOYSA-N
XLogP0.23
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[(2-hydroxy-2-oxo-1,3,2λ5-dioxaphospholan-4-yl)methyl]pyrimidin-2-one
CID 23263317
[(2S)-5-[(4-amino-2-oxopyrimidin-1-yl)methyl]-4,4-difluorooxolan-2-yl]methyl propan-2-yl hydrogen phosphate
CID 162597630
4-amino-1-[(2-hydroxy-1,4,2-dioxaphosphinan-5-yl)methyl]pyrimidin-2-one
CID 170568219
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
CID 130458181
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
[1-[(4-amino-2-oxopyrimidin-1-yl)methyl]-3,4-dimethylcyclopent-3-en-1-yl]methoxymethylphosphonic acid
CID 46894295
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 24763733
[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl-ethoxyphosphinic acid
CID 14755650
4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 166811766
[(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

Frequently Asked Questions

What is the IUPAC name of [5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid?
The IUPAC name of [5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid (CID 59942649) is [5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid.
What is the SMILES notation for [5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid?
The canonical SMILES for [5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid is CP(=O)(O)C1CCC(Cn2ccc(N)nc2=O)O1.
What is the InChIKey of [5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid?
The InChIKey is KLGQYCDRUYEXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N3O4P/c1-18(15,16)9-3-2-7(17-9)6-13-5-4-8(11)12-10(13)14/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)(H2,11,12,14).
What are the key properties of [5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid?
[5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid has a molecular weight of 273.23 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-amino-2-oxopyrimidin-1-yl)methyl]oxolan-2-yl]-methylphosphinic acid is sourced from PubChem (CID 59942649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).