dimethyl (5-methylpyrazin-2-yl) phosphate

C7H11N2O4P — CID 59693979

IUPACdimethyl (5-methylpyrazin-2-yl) phosphate
SMILESCOP(=O)(OC)Oc1cnc(C)cn1
InChIInChI=1S/C7H11N2O4P/c1-6-4-9-7(5-8-6)13-14(10,11-2)12-3/h4-5H,1-3H3
InChIKeySISPHTOAWCZPAS-UHFFFAOYSA-N
MW218.15 g/mol
LogP1.56
Rot. Bonds4

About dimethyl (5-methylpyrazin-2-yl) phosphate

dimethyl (5-methylpyrazin-2-yl) phosphate (PubChem CID 59693979) has the molecular formula C7H11N2O4P and a molecular weight of 218.15 g/mol. Its IUPAC name is dimethyl (5-methylpyrazin-2-yl) phosphate.

Molecular Properties

Compound Namedimethyl (5-methylpyrazin-2-yl) phosphate
PubChem CID59693979
Molecular FormulaC7H11N2O4P
Molecular Weight218.15 g/mol
Exact Mass218.05
IUPAC Namedimethyl (5-methylpyrazin-2-yl) phosphate
SMILESCOP(=O)(OC)Oc1cnc(C)cn1
InChIInChI=1S/C7H11N2O4P/c1-6-4-9-7(5-8-6)13-14(10,11-2)12-3/h4-5H,1-3H3
InChIKeySISPHTOAWCZPAS-UHFFFAOYSA-N
XLogP1.56
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 51.56
H-Bond Donors ≤ 50
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 dimethyl (5-methylpyrazin-2-yl) phosphate?
The IUPAC name of dimethyl (5-methylpyrazin-2-yl) phosphate (CID 59693979) is dimethyl (5-methylpyrazin-2-yl) phosphate.
What is the SMILES notation for dimethyl (5-methylpyrazin-2-yl) phosphate?
The canonical SMILES for dimethyl (5-methylpyrazin-2-yl) phosphate is COP(=O)(OC)Oc1cnc(C)cn1.
What is the InChIKey of dimethyl (5-methylpyrazin-2-yl) phosphate?
The InChIKey is SISPHTOAWCZPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O4P/c1-6-4-9-7(5-8-6)13-14(10,11-2)12-3/h4-5H,1-3H3.
What are the key properties of dimethyl (5-methylpyrazin-2-yl) phosphate?
dimethyl (5-methylpyrazin-2-yl) phosphate has a molecular weight of 218.15 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (5-methylpyrazin-2-yl) phosphate is sourced from PubChem (CID 59693979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).