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

C12H21N2O3PS — CID 3017

IUPACdiethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyFHIVAFMUCKRCQO-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.58
Rot. Bonds7

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

diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane (PubChem CID 3017) has the molecular formula C12H21N2O3PS and a molecular weight of 304.35 g/mol. Its IUPAC name is diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane
PubChem CID3017
Molecular FormulaC12H21N2O3PS
Molecular Weight304.35 g/mol
Exact Mass304.10
IUPAC Namediethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1
InChIInChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3
InChIKeyFHIVAFMUCKRCQO-UHFFFAOYSA-N
XLogP3.58
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.58
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

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
2,4-Bis(trimethylsilyloxy)-6-methylpyrimidine
CID 356418
Pirimiphos-ethyl O-analog
CID 181476
Phosphonothioic acid, methyl-, O-(2-(ethylthio)-6-methyl-4-pyrimidinyl) O-methyl ester
CID 114255

Frequently Asked Questions

What is the IUPAC name of diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane (CID 3017) is diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)Oc1cc(C)nc(C(C)C)n1.
What is the InChIKey of diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane?
The InChIKey is FHIVAFMUCKRCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane?
diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane has a molecular weight of 304.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 3017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).