5-diethoxyphosphoryl-2,4-dimethoxypyrimidine

C10H17N2O5P — CID 12553989

IUPAC5-diethoxyphosphoryl-2,4-dimethoxypyrimidine
SMILESCCOP(=O)(OCC)c1cnc(OC)nc1OC
InChIInChI=1S/C10H17N2O5P/c1-5-16-18(13,17-6-2)8-7-11-10(15-4)12-9(8)14-3/h7H,5-6H2,1-4H3
InChIKeyMNCPGPVMTNLTIN-UHFFFAOYSA-N
MW276.23 g/mol
LogP1.39
Rot. Bonds7

About 5-diethoxyphosphoryl-2,4-dimethoxypyrimidine

5-diethoxyphosphoryl-2,4-dimethoxypyrimidine (PubChem CID 12553989) has the molecular formula C10H17N2O5P and a molecular weight of 276.23 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-2,4-dimethoxypyrimidine.

Molecular Properties

Compound Name5-diethoxyphosphoryl-2,4-dimethoxypyrimidine
PubChem CID12553989
Molecular FormulaC10H17N2O5P
Molecular Weight276.23 g/mol
Exact Mass276.09
IUPAC Name5-diethoxyphosphoryl-2,4-dimethoxypyrimidine
SMILESCCOP(=O)(OCC)c1cnc(OC)nc1OC
InChIInChI=1S/C10H17N2O5P/c1-5-16-18(13,17-6-2)8-7-11-10(15-4)12-9(8)14-3/h7H,5-6H2,1-4H3
InChIKeyMNCPGPVMTNLTIN-UHFFFAOYSA-N
XLogP1.39
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-diethoxyphosphoryl-2,4-dimethoxypyrimidine?
The IUPAC name of 5-diethoxyphosphoryl-2,4-dimethoxypyrimidine (CID 12553989) is 5-diethoxyphosphoryl-2,4-dimethoxypyrimidine.
What is the SMILES notation for 5-diethoxyphosphoryl-2,4-dimethoxypyrimidine?
The canonical SMILES for 5-diethoxyphosphoryl-2,4-dimethoxypyrimidine is CCOP(=O)(OCC)c1cnc(OC)nc1OC.
What is the InChIKey of 5-diethoxyphosphoryl-2,4-dimethoxypyrimidine?
The InChIKey is MNCPGPVMTNLTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O5P/c1-5-16-18(13,17-6-2)8-7-11-10(15-4)12-9(8)14-3/h7H,5-6H2,1-4H3.
What are the key properties of 5-diethoxyphosphoryl-2,4-dimethoxypyrimidine?
5-diethoxyphosphoryl-2,4-dimethoxypyrimidine has a molecular weight of 276.23 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-2,4-dimethoxypyrimidine is sourced from PubChem (CID 12553989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).