diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane

C12H18F3N2O3PS — CID 14735410

IUPACdiethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(C(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C12H18F3N2O3PS/c1-5-18-21(22,19-6-2)20-10-7-9(12(13,14)15)16-11(17-10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyWPWNZZPPZSYCPM-UHFFFAOYSA-N
MW358.32 g/mol
LogP4.30
Rot. Bonds7

About diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane

diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane (PubChem CID 14735410) has the molecular formula C12H18F3N2O3PS and a molecular weight of 358.32 g/mol. Its IUPAC name is diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane
PubChem CID14735410
Molecular FormulaC12H18F3N2O3PS
Molecular Weight358.32 g/mol
Exact Mass358.07
IUPAC Namediethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(C(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C12H18F3N2O3PS/c1-5-18-21(22,19-6-2)20-10-7-9(12(13,14)15)16-11(17-10)8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyWPWNZZPPZSYCPM-UHFFFAOYSA-N
XLogP4.30
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diazinon
CID 3017
Pirimiphos-Ethyl
CID 31957
Pirimiphos-methyl
CID 34526
Diazoxon
CID 13754
Pyrimitate
CID 21289
O,O-Diethyl O-(2-(1-hydroxy-1-methylethyl)-6-methylpyrimidin-4-yl)phosphorothioate
CID 592775
Diazinon-diethyl-d10
CID 16213547
AI 3-22820
CID 22079
AI 3-22821
CID 135153
Desethyl pirimiphos-methyl
CID 6455414
Pirimiphos-ethyl O-analog
CID 181476
O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate
CID 120437

Frequently Asked Questions

What is the IUPAC name of diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane (CID 14735410) is diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)Oc1cc(C(F)(F)F)nc(C(C)C)n1.
What is the InChIKey of diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane?
The InChIKey is WPWNZZPPZSYCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N2O3PS/c1-5-18-21(22,19-6-2)20-10-7-9(12(13,14)15)16-11(17-10)8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane?
diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane has a molecular weight of 358.32 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 14735410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).