4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine

C9H16N3O3PS — CID 6455414

IUPAC4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(OP(=S)(OC)OC)n1
InChIInChI=1S/C9H16N3O3PS/c1-5-10-9-11-7(2)6-8(12-9)15-16(17,13-3)14-4/h6H,5H2,1-4H3,(H,10,11,12)
InChIKeyFMJYNECHJIZSCE-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.11
Rot. Bonds6

About 4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine

4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 6455414) has the molecular formula C9H16N3O3PS and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID6455414
Molecular FormulaC9H16N3O3PS
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC Name4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(OP(=S)(OC)OC)n1
InChIInChI=1S/C9H16N3O3PS/c1-5-10-9-11-7(2)6-8(12-9)15-16(17,13-3)14-4/h6H,5H2,1-4H3,(H,10,11,12)
InChIKeyFMJYNECHJIZSCE-UHFFFAOYSA-N
XLogP2.11
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.11
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
Methyl diazinon
CID 13646934
Diazinon water
CID 17819051

Frequently Asked Questions

What is the IUPAC name of 4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine (CID 6455414) is 4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(OP(=S)(OC)OC)n1.
What is the InChIKey of 4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is FMJYNECHJIZSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N3O3PS/c1-5-10-9-11-7(2)6-8(12-9)15-16(17,13-3)14-4/h6H,5H2,1-4H3,(H,10,11,12).
What are the key properties of 4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine?
4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethoxyphosphinothioyloxy-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 6455414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).