[(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate

C6H8N3O7P2-3 — CID 25245586

IUPAC[(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate
SMILESCc1ncc(COP(=O)([O-])OP(=O)([O-])[O-])c(N)n1
InChIInChI=1S/C6H11N3O7P2/c1-4-8-2-5(6(7)9-4)3-15-18(13,14)16-17(10,11)12/h2H,3H2,1H3,(H,13,14)(H2,7,8,9)(H2,10,11,12)/p-3
InChIKeyAGQJQCFEPUVXNK-UHFFFAOYSA-K
MW296.09 g/mol
LogP-1.80
Rot. Bonds5

About [(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate

[(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate (PubChem CID 25245586) has the molecular formula C6H8N3O7P2-3 and a molecular weight of 296.09 g/mol. Its IUPAC name is [(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate.

Molecular Properties

Compound Name[(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate
PubChem CID25245586
Molecular FormulaC6H8N3O7P2-3
Molecular Weight296.09 g/mol
Exact Mass295.99
IUPAC Name[(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate
SMILESCc1ncc(COP(=O)([O-])OP(=O)([O-])[O-])c(N)n1
InChIInChI=1S/C6H11N3O7P2/c1-4-8-2-5(6(7)9-4)3-15-18(13,14)16-17(10,11)12/h2H,3H2,1H3,(H,13,14)(H2,7,8,9)(H2,10,11,12)/p-3
InChIKeyAGQJQCFEPUVXNK-UHFFFAOYSA-K
XLogP-1.80
TPSA173.58 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 5-1.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate?
The IUPAC name of [(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate (CID 25245586) is [(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate.
What is the SMILES notation for [(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate?
The canonical SMILES for [(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate is Cc1ncc(COP(=O)([O-])OP(=O)([O-])[O-])c(N)n1.
What is the InChIKey of [(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate?
The InChIKey is AGQJQCFEPUVXNK-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H11N3O7P2/c1-4-8-2-5(6(7)9-4)3-15-18(13,14)16-17(10,11)12/h2H,3H2,1H3,(H,13,14)(H2,7,8,9)(H2,10,11,12)/p-3.
What are the key properties of [(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate?
[(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate has a molecular weight of 296.09 g/mol, XLogP of -1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 25245586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).