[(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid

C8H15N4O6P — CID 6480061

IUPAC[(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid
SMILESNc1cc(OC[C@@H](CO)OCP(=O)(O)O)nc(N)n1
InChIInChI=1S/C8H15N4O6P/c9-6-1-7(12-8(10)11-6)17-3-5(2-13)18-4-19(14,15)16/h1,5,13H,2-4H2,(H2,14,15,16)(H4,9,10,11,12)/t5-/m1/s1
InChIKeySDORNFBUOMQVCA-RXMQYKEDSA-N
MW294.20 g/mol
LogP-1.47
Rot. Bonds7

About [(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid

[(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid (PubChem CID 6480061) has the molecular formula C8H15N4O6P and a molecular weight of 294.20 g/mol. Its IUPAC name is [(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid
PubChem CID6480061
Molecular FormulaC8H15N4O6P
Molecular Weight294.20 g/mol
Exact Mass294.07
IUPAC Name[(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid
SMILESNc1cc(OC[C@@H](CO)OCP(=O)(O)O)nc(N)n1
InChIInChI=1S/C8H15N4O6P/c9-6-1-7(12-8(10)11-6)17-3-5(2-13)18-4-19(14,15)16/h1,5,13H,2-4H2,(H2,14,15,16)(H4,9,10,11,12)/t5-/m1/s1
InChIKeySDORNFBUOMQVCA-RXMQYKEDSA-N
XLogP-1.47
TPSA174.04 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 5-1.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid?
The IUPAC name of [(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid (CID 6480061) is [(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid.
What is the SMILES notation for [(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid?
The canonical SMILES for [(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid is Nc1cc(OC[C@@H](CO)OCP(=O)(O)O)nc(N)n1.
What is the InChIKey of [(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid?
The InChIKey is SDORNFBUOMQVCA-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H15N4O6P/c9-6-1-7(12-8(10)11-6)17-3-5(2-13)18-4-19(14,15)16/h1,5,13H,2-4H2,(H2,14,15,16)(H4,9,10,11,12)/t5-/m1/s1.
What are the key properties of [(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid?
[(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid has a molecular weight of 294.20 g/mol, XLogP of -1.47, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,6-diaminopyrimidin-4-yl)oxy-3-hydroxypropan-2-yl]oxymethylphosphonic acid is sourced from PubChem (CID 6480061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).