[(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid

C8H13FN3O5P — CID 134382943

IUPAC[(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid
SMILESNc1ccnc(OC[C@H](CF)OCP(=O)(O)O)n1
InChIInChI=1S/C8H13FN3O5P/c9-3-6(17-5-18(13,14)15)4-16-8-11-2-1-7(10)12-8/h1-2,6H,3-5H2,(H2,10,11,12)(H2,13,14,15)/t6-/m0/s1
InChIKeyOPVQRUQRDNDKCZ-LURJTMIESA-N
MW281.18 g/mol
LogP-0.07
Rot. Bonds7

About [(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid

[(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid (PubChem CID 134382943) has the molecular formula C8H13FN3O5P and a molecular weight of 281.18 g/mol. Its IUPAC name is [(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid
PubChem CID134382943
Molecular FormulaC8H13FN3O5P
Molecular Weight281.18 g/mol
Exact Mass281.06
IUPAC Name[(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid
SMILESNc1ccnc(OC[C@H](CF)OCP(=O)(O)O)n1
InChIInChI=1S/C8H13FN3O5P/c9-3-6(17-5-18(13,14)15)4-16-8-11-2-1-7(10)12-8/h1-2,6H,3-5H2,(H2,10,11,12)(H2,13,14,15)/t6-/m0/s1
InChIKeyOPVQRUQRDNDKCZ-LURJTMIESA-N
XLogP-0.07
TPSA127.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid?
The IUPAC name of [(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid (CID 134382943) is [(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid.
What is the SMILES notation for [(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid?
The canonical SMILES for [(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid is Nc1ccnc(OC[C@H](CF)OCP(=O)(O)O)n1.
What is the InChIKey of [(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid?
The InChIKey is OPVQRUQRDNDKCZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H13FN3O5P/c9-3-6(17-5-18(13,14)15)4-16-8-11-2-1-7(10)12-8/h1-2,6H,3-5H2,(H2,10,11,12)(H2,13,14,15)/t6-/m0/s1.
What are the key properties of [(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid?
[(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid has a molecular weight of 281.18 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-aminopyrimidin-2-yl)oxy-3-fluoropropan-2-yl]oxymethylphosphonic acid is sourced from PubChem (CID 134382943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).