diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane

C11H19N2O5PS — CID 22078473

IUPACdiethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(COC)nc(OC)n1
InChIInChI=1S/C11H19N2O5PS/c1-5-16-19(20,17-6-2)18-10-7-9(8-14-3)12-11(13-10)15-4/h7H,5-6,8H2,1-4H3
InChIKeyRRXYYQLXXJWUDX-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.31
Rot. Bonds9

About diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane

diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane (PubChem CID 22078473) has the molecular formula C11H19N2O5PS and a molecular weight of 322.32 g/mol. Its IUPAC name is diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane
PubChem CID22078473
Molecular FormulaC11H19N2O5PS
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Namediethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(COC)nc(OC)n1
InChIInChI=1S/C11H19N2O5PS/c1-5-16-19(20,17-6-2)18-10-7-9(8-14-3)12-11(13-10)15-4/h7H,5-6,8H2,1-4H3
InChIKeyRRXYYQLXXJWUDX-UHFFFAOYSA-N
XLogP2.31
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane?
The IUPAC name of diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane (CID 22078473) is diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane is CCOP(=S)(OCC)Oc1cc(COC)nc(OC)n1.
What is the InChIKey of diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane?
The InChIKey is RRXYYQLXXJWUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O5PS/c1-5-16-19(20,17-6-2)18-10-7-9(8-14-3)12-11(13-10)15-4/h7H,5-6,8H2,1-4H3.
What are the key properties of diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane?
diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane has a molecular weight of 322.32 g/mol, XLogP of 2.31, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[2-methoxy-6-(methoxymethyl)pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 22078473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).