diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane

C12H21N2O3PS — CID 22079

IUPACdiethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane
SMILESCCCc1cc(OP(=S)(OCC)OCC)nc(C)n1
InChIInChI=1S/C12H21N2O3PS/c1-5-8-11-9-12(14-10(4)13-11)17-18(19,15-6-2)16-7-3/h9H,5-8H2,1-4H3
InChIKeyAOIYMCGAKDGVHS-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.41
Rot. Bonds8

About diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane

diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane (PubChem CID 22079) has the molecular formula C12H21N2O3PS and a molecular weight of 304.35 g/mol. Its IUPAC name is diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane
PubChem CID22079
Molecular FormulaC12H21N2O3PS
Molecular Weight304.35 g/mol
Exact Mass304.10
IUPAC Namediethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane
SMILESCCCc1cc(OP(=S)(OCC)OCC)nc(C)n1
InChIInChI=1S/C12H21N2O3PS/c1-5-8-11-9-12(14-10(4)13-11)17-18(19,15-6-2)16-7-3/h9H,5-8H2,1-4H3
InChIKeyAOIYMCGAKDGVHS-UHFFFAOYSA-N
XLogP3.41
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Diazinon
CID 3017
Pirimiphos-Ethyl
CID 31957
Pirimiphos-methyl
CID 34526
Diazoxon
CID 13754
Pyrimitate
CID 21289
Diazinon-diethyl-d10
CID 16213547
AI 3-22821
CID 135153
O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate
CID 120437
Phosphonothioic acid, phenyl-, O-ethyl O-(2-(fluoromethyl)-6-methyl-4-pyrimidinyl) ester
CID 121040
Methyl diazinon
CID 13646934
Diazinon water
CID 17819051
Oxadiazinone
CID 87359201

Frequently Asked Questions

What is the IUPAC name of diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane (CID 22079) is diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane is CCCc1cc(OP(=S)(OCC)OCC)nc(C)n1.
What is the InChIKey of diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane?
The InChIKey is AOIYMCGAKDGVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2O3PS/c1-5-8-11-9-12(14-10(4)13-11)17-18(19,15-6-2)16-7-3/h9H,5-8H2,1-4H3.
What are the key properties of diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane?
diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane has a molecular weight of 304.35 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 22079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).