methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate

C6H15N5O6P2S2-6 — CID 20975411

IUPACmethane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate
SMILESC.C.Cc1nc(N)nc(N)n1.[O-]P([O-])([O-])=S.[O-]P([O-])([O-])=S
InChIInChI=1S/C4H7N5.2CH4.2H3O3PS/c1-2-7-3(5)9-4(6)8-2;;;2*1-4(2,3)5/h1H3,(H4,5,6,7,8,9);2*1H4;2*(H3,1,2,3,5)/p-6
InChIKeyMEEFYOJLKAYRKK-UHFFFAOYSA-H
MW379.30 g/mol
LogP-4.80
Rot. Bonds

About methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate

methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate (PubChem CID 20975411) has the molecular formula C6H15N5O6P2S2-6 and a molecular weight of 379.30 g/mol. Its IUPAC name is methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate.

Molecular Properties

Compound Namemethane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate
PubChem CID20975411
Molecular FormulaC6H15N5O6P2S2-6
Molecular Weight379.30 g/mol
Exact Mass379.00
IUPAC Namemethane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate
SMILESC.C.Cc1nc(N)nc(N)n1.[O-]P([O-])([O-])=S.[O-]P([O-])([O-])=S
InChIInChI=1S/C4H7N5.2CH4.2H3O3PS/c1-2-7-3(5)9-4(6)8-2;;;2*1-4(2,3)5/h1H3,(H4,5,6,7,8,9);2*1H4;2*(H3,1,2,3,5)/p-6
InChIKeyMEEFYOJLKAYRKK-UHFFFAOYSA-H
XLogP-4.80
TPSA229.07 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.30
LogP ≤ 5-4.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate?
The IUPAC name of methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate (CID 20975411) is methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate.
What is the SMILES notation for methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate?
The canonical SMILES for methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate is C.C.Cc1nc(N)nc(N)n1.[O-]P([O-])([O-])=S.[O-]P([O-])([O-])=S.
What is the InChIKey of methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate?
The InChIKey is MEEFYOJLKAYRKK-UHFFFAOYSA-H. The full InChI is InChI=1S/C4H7N5.2CH4.2H3O3PS/c1-2-7-3(5)9-4(6)8-2;;;2*1-4(2,3)5/h1H3,(H4,5,6,7,8,9);2*1H4;2*(H3,1,2,3,5)/p-6.
What are the key properties of methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate?
methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate has a molecular weight of 379.30 g/mol, XLogP of -4.80, 0 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate is sourced from PubChem (CID 20975411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).