6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

C7H14N5O2PS2 — CID 154108072

IUPAC6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N)nc(CSP(=S)(OC)OC)n1
InChIInChI=1S/C7H14N5O2PS2/c1-9-7-11-5(10-6(8)12-7)4-17-15(16,13-2)14-3/h4H2,1-3H3,(H3,8,9,10,11,12)
InChIKeyOXHZKEGGGSYZNV-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.25
Rot. Bonds6

About 6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 154108072) has the molecular formula C7H14N5O2PS2 and a molecular weight of 295.33 g/mol. Its IUPAC name is 6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID154108072
Molecular FormulaC7H14N5O2PS2
Molecular Weight295.33 g/mol
Exact Mass295.03
IUPAC Name6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N)nc(CSP(=S)(OC)OC)n1
InChIInChI=1S/C7H14N5O2PS2/c1-9-7-11-5(10-6(8)12-7)4-17-15(16,13-2)14-3/h4H2,1-3H3,(H3,8,9,10,11,12)
InChIKeyOXHZKEGGGSYZNV-UHFFFAOYSA-N
XLogP1.25
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 154108072) is 6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(N)nc(CSP(=S)(OC)OC)n1.
What is the InChIKey of 6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OXHZKEGGGSYZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N5O2PS2/c1-9-7-11-5(10-6(8)12-7)4-17-15(16,13-2)14-3/h4H2,1-3H3,(H3,8,9,10,11,12).
What are the key properties of 6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 295.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 154108072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).