2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol

C12H21N2O4PS — CID 592775

IUPAC2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol
SMILESCCOP(=S)(OCC)Oc1cc(C)nc(C(C)(C)O)n1
InChIInChI=1S/C12H21N2O4PS/c1-6-16-19(20,17-7-2)18-10-8-9(3)13-11(14-10)12(4,5)15/h8,15H,6-7H2,1-5H3
InChIKeyOZYAOPOQPFWGIH-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.69
Rot. Bonds7

About 2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol

2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol (PubChem CID 592775) has the molecular formula C12H21N2O4PS and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol
PubChem CID592775
Molecular FormulaC12H21N2O4PS
Molecular Weight320.35 g/mol
Exact Mass320.10
IUPAC Name2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol
SMILESCCOP(=S)(OCC)Oc1cc(C)nc(C(C)(C)O)n1
InChIInChI=1S/C12H21N2O4PS/c1-6-16-19(20,17-7-2)18-10-8-9(3)13-11(14-10)12(4,5)15/h8,15H,6-7H2,1-5H3
InChIKeyOZYAOPOQPFWGIH-UHFFFAOYSA-N
XLogP2.69
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
Pirimiphos-ethyl O-analog
CID 181476
O-(2-(Fluoromethyl)-6-methyl-4-pyrimidinyl) O,O-dimethyl phosphorothioate
CID 120437
Pirimiphos
CID 190609
O,O-diethyl O-[6-methyl-2-(1-methyl-2-oxo-ethyl)pyrimidin-4-yl] thiophosphate
CID 129821863
O-(2-acetyl-6-methylpyrimidin-4-yl) O,O-diethyl thiophosphate
CID 129821865

Frequently Asked Questions

What is the IUPAC name of 2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol?
The IUPAC name of 2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol (CID 592775) is 2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol is CCOP(=S)(OCC)Oc1cc(C)nc(C(C)(C)O)n1.
What is the InChIKey of 2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol?
The InChIKey is OZYAOPOQPFWGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N2O4PS/c1-6-16-19(20,17-7-2)18-10-8-9(3)13-11(14-10)12(4,5)15/h8,15H,6-7H2,1-5H3.
What are the key properties of 2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol?
2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol has a molecular weight of 320.35 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diethoxyphosphinothioyloxy-6-methylpyrimidin-2-yl)propan-2-ol is sourced from PubChem (CID 592775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).