(2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane

C13H23N2O4PS2 — CID 88699769

IUPAC(2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCS[P@@](=S)(OC)OCc1cc(OCC)nc(OCC)n1
InChIInChI=1S/C13H23N2O4PS2/c1-5-8-22-20(21,16-4)19-10-11-9-12(17-6-2)15-13(14-11)18-7-3/h9H,5-8,10H2,1-4H3/t20-/m0/s1
InChIKeyVVURWEWDZSKSDT-FQEVSTJZSA-N
MW366.45 g/mol
LogP3.80
Rot. Bonds11

About (2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane

(2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 88699769) has the molecular formula C13H23N2O4PS2 and a molecular weight of 366.45 g/mol. Its IUPAC name is (2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
PubChem CID88699769
Molecular FormulaC13H23N2O4PS2
Molecular Weight366.45 g/mol
Exact Mass366.08
IUPAC Name(2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
SMILESCCCS[P@@](=S)(OC)OCc1cc(OCC)nc(OCC)n1
InChIInChI=1S/C13H23N2O4PS2/c1-5-8-22-20(21,16-4)19-10-11-9-12(17-6-2)15-13(14-11)18-7-3/h9H,5-8,10H2,1-4H3/t20-/m0/s1
InChIKeyVVURWEWDZSKSDT-FQEVSTJZSA-N
XLogP3.80
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethoxy-[(2-ethoxy-6-propan-2-yloxypyrimidin-4-yl)methoxy]-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 88699420
(2-chloro-6-ethoxypyrimidin-4-yl)methoxy-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 88699257
(2,6-diethoxypyrimidin-4-yl)methoxy-ethoxy-propan-2-ylsulfanyl-sulfanylidene-λ5-phosphane
CID 88728802
(2,6-diethoxypyrimidin-4-yl)methylsulfanyl-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 57162728
4-ethoxy-6-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethylpyrimidin-2-amine
CID 88699431
2,4-diethoxy-6-[[methoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine
CID 23324668
2,4-diethoxy-6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]pyrimidine
CID 70472771
ethoxy-[(2-propan-2-yl-6-propan-2-yloxypyrimidin-4-yl)methoxy]-propylsulfanyl-sulfanylidene-λ5-phosphane
CID 88699391
4-[[ethoxy(propylsulfanyl)phosphinothioyl]oxymethyl]-N,N-diethyl-6-methylpyrimidin-2-amine
CID 88727346
(4-ethoxy-6-methylpyrimidin-2-yl)methylsulfanyl-dimethoxy-sulfanylidene-λ5-phosphane
CID 13091095
2-ethoxy-4-[[ethoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]-6-methylpyrimidine
CID 57231123
(6-ethoxy-2-methylpyrimidin-4-yl)methylsulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 56631554

Frequently Asked Questions

What is the IUPAC name of (2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane (CID 88699769) is (2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane is CCCS[P@@](=S)(OC)OCc1cc(OCC)nc(OCC)n1.
What is the InChIKey of (2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is VVURWEWDZSKSDT-FQEVSTJZSA-N. The full InChI is InChI=1S/C13H23N2O4PS2/c1-5-8-22-20(21,16-4)19-10-11-9-12(17-6-2)15-13(14-11)18-7-3/h9H,5-8,10H2,1-4H3/t20-/m0/s1.
What are the key properties of (2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane?
(2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 366.45 g/mol, XLogP of 3.80, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethoxypyrimidin-4-yl)methoxy-methoxy-propylsulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 88699769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).