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

C9H16N3O3PS — CID 88708467

IUPAC4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine
SMILESCOP(=S)(OC)Oc1cc(C)nc(N(C)C)n1
InChIInChI=1S/C9H16N3O3PS/c1-7-6-8(11-9(10-7)12(2)3)15-16(17,13-4)14-5/h6H,1-5H3
InChIKeyDBWINZIVFQDSHB-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.75
Rot. Bonds5

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

4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine (PubChem CID 88708467) has the molecular formula C9H16N3O3PS and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine
PubChem CID88708467
Molecular FormulaC9H16N3O3PS
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC Name4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine
SMILESCOP(=S)(OC)Oc1cc(C)nc(N(C)C)n1
InChIInChI=1S/C9H16N3O3PS/c1-7-6-8(11-9(10-7)12(2)3)15-16(17,13-4)14-5/h6H,1-5H3
InChIKeyDBWINZIVFQDSHB-UHFFFAOYSA-N
XLogP1.75
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine?
The IUPAC name of 4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine (CID 88708467) is 4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine is COP(=S)(OC)Oc1cc(C)nc(N(C)C)n1.
What is the InChIKey of 4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine?
The InChIKey is DBWINZIVFQDSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N3O3PS/c1-7-6-8(11-9(10-7)12(2)3)15-16(17,13-4)14-5/h6H,1-5H3.
What are the key properties of 4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine?
4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine has a molecular weight of 277.29 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethoxyphosphinothioyloxy-N,N,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 88708467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).