4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine

C11H20N3O3PS — CID 21289

IUPAC4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine
SMILESCCOP(=S)(OCC)Oc1cc(C)nc(N(C)C)n1
InChIInChI=1S/C11H20N3O3PS/c1-6-15-18(19,16-7-2)17-10-8-9(3)12-11(13-10)14(4)5/h8H,6-7H2,1-5H3
InChIKeyMLDVVJZNWASRQL-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.53
Rot. Bonds7

About 4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine

4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine (PubChem CID 21289) has the molecular formula C11H20N3O3PS and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine
PubChem CID21289
Molecular FormulaC11H20N3O3PS
Molecular Weight305.34 g/mol
Exact Mass305.10
IUPAC Name4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine
SMILESCCOP(=S)(OCC)Oc1cc(C)nc(N(C)C)n1
InChIInChI=1S/C11H20N3O3PS/c1-6-15-18(19,16-7-2)17-10-8-9(3)12-11(13-10)14(4)5/h8H,6-7H2,1-5H3
InChIKeyMLDVVJZNWASRQL-UHFFFAOYSA-N
XLogP2.53
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine 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
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 4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine?
The IUPAC name of 4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine (CID 21289) is 4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine is CCOP(=S)(OCC)Oc1cc(C)nc(N(C)C)n1.
What is the InChIKey of 4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine?
The InChIKey is MLDVVJZNWASRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3O3PS/c1-6-15-18(19,16-7-2)17-10-8-9(3)12-11(13-10)14(4)5/h8H,6-7H2,1-5H3.
What are the key properties of 4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine?
4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine has a molecular weight of 305.34 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 21289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).