diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane

C10H17N2O4PS — CID 165360241

IUPACdiethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(C)nc(OC)n1
InChIInChI=1S/C10H17N2O4PS/c1-5-14-17(18,15-6-2)16-9-7-8(3)11-10(12-9)13-4/h7H,5-6H2,1-4H3
InChIKeyJPAJTPFDIZFTJN-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.47
Rot. Bonds7

About diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane

diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane (PubChem CID 165360241) has the molecular formula C10H17N2O4PS and a molecular weight of 292.30 g/mol. Its IUPAC name is diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane
PubChem CID165360241
Molecular FormulaC10H17N2O4PS
Molecular Weight292.30 g/mol
Exact Mass292.06
IUPAC Namediethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(C)nc(OC)n1
InChIInChI=1S/C10H17N2O4PS/c1-5-14-17(18,15-6-2)16-9-7-8(3)11-10(12-9)13-4/h7H,5-6H2,1-4H3
InChIKeyJPAJTPFDIZFTJN-UHFFFAOYSA-N
XLogP2.47
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane;phosphoric acid
CID 159593997
bis(diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane);ethoxy-(2-methoxybutan-2-yloxy)-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane
CID 88752677
4-chlorocyclohexa-3,5-diene-1,2-dione;diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane
CID 88802425
diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane;diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate
CID 87637862
(2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate
CID 10061884
4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine
CID 88708467
(2-tert-butyl-6-methylpyrimidin-4-yl)oxy-ethyl-methoxy-sulfanylidene-lambda5-phosphane
CID 14369972
diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane;N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide;1,2,3,4,5,6-hexachlorocyclohexane
CID 88712999
(4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
CID 13091095
diethoxy-[6-(2-methylpropoxy)pyridazin-3-yl]oxy-sulfanylidene-λ5-phosphane
CID 21400600
ethane;4-ethoxy-2-ethyl-6-methylpyrimidine;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173416409
diethoxy-(6-ethylsulfanylpyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane
CID 21400609

Frequently Asked Questions

What is the IUPAC name of diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane?
The IUPAC name of diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane (CID 165360241) is diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane is CCOP(=S)(OCC)Oc1cc(C)nc(OC)n1.
What is the InChIKey of diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane?
The InChIKey is JPAJTPFDIZFTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O4PS/c1-5-14-17(18,15-6-2)16-9-7-8(3)11-10(12-9)13-4/h7H,5-6H2,1-4H3.
What are the key properties of diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane?
diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane has a molecular weight of 292.30 g/mol, XLogP of 2.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2-methoxy-6-methylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 165360241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).