6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C6H12N5O2PS2 — CID 67127248

IUPAC6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCOP(=O)(SC)SCc1nc(N)nc(N)n1
InChIInChI=1S/C6H12N5O2PS2/c1-13-14(12,15-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11)
InChIKeyHNXMSTICZJEHIW-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.39
Rot. Bonds5

About 6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 67127248) has the molecular formula C6H12N5O2PS2 and a molecular weight of 281.30 g/mol. Its IUPAC name is 6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID67127248
Molecular FormulaC6H12N5O2PS2
Molecular Weight281.30 g/mol
Exact Mass281.02
IUPAC Name6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCOP(=O)(SC)SCc1nc(N)nc(N)n1
InChIInChI=1S/C6H12N5O2PS2/c1-13-14(12,15-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11)
InChIKeyHNXMSTICZJEHIW-UHFFFAOYSA-N
XLogP1.39
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.39
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-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 67127248) is 6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is COP(=O)(SC)SCc1nc(N)nc(N)n1.
What is the InChIKey of 6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is HNXMSTICZJEHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N5O2PS2/c1-13-14(12,15-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11).
What are the key properties of 6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 281.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67127248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).