methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

C6H21N5O6P2S2 — CID 173419385

IUPACmethane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESC.C.Cc1nc(N)nc(N)n1.OP(O)(O)=S.OP(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)
InChIKeyMEEFYOJLKAYRKK-UHFFFAOYSA-N
MW385.35 g/mol
LogP-1.01
Rot. Bonds

About methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)

methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (PubChem CID 173419385) has the molecular formula C6H21N5O6P2S2 and a molecular weight of 385.35 g/mol. Its IUPAC name is methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane).

Molecular Properties

Compound Namemethane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
PubChem CID173419385
Molecular FormulaC6H21N5O6P2S2
Molecular Weight385.35 g/mol
Exact Mass385.04
IUPAC Namemethane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
SMILESC.C.Cc1nc(N)nc(N)n1.OP(O)(O)=S.OP(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)
InChIKeyMEEFYOJLKAYRKK-UHFFFAOYSA-N
XLogP-1.01
TPSA212.09 Ų
H-Bond Donors8
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.35
LogP ≤ 5-1.01
H-Bond Donors ≤ 58
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 methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The IUPAC name of methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane) (CID 173419385) is methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane).
What is the SMILES notation for methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The canonical SMILES for methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is C.C.Cc1nc(N)nc(N)n1.OP(O)(O)=S.OP(O)(O)=S.
What is the InChIKey of methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
The InChIKey is MEEFYOJLKAYRKK-UHFFFAOYSA-N. 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).
What are the key properties of methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane)?
methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane) has a molecular weight of 385.35 g/mol, XLogP of -1.01, 0 rotatable bonds, 8 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methyl-1,3,5-triazine-2,4-diamine;bis(trihydroxy(sulfanylidene)-λ5-phosphane) is sourced from PubChem (CID 173419385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).