6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

C8H16N5O3PS — CID 163847492

IUPAC6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOP(=O)(OCC)SCc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N5O3PS/c1-3-15-17(14,16-4-2)18-5-6-11-7(9)13-8(10)12-6/h3-5H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyORLAUUZWYITUIW-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.45
Rot. Bonds7

About 6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 163847492) has the molecular formula C8H16N5O3PS and a molecular weight of 293.29 g/mol. Its IUPAC name is 6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID163847492
Molecular FormulaC8H16N5O3PS
Molecular Weight293.29 g/mol
Exact Mass293.07
IUPAC Name6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOP(=O)(OCC)SCc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N5O3PS/c1-3-15-17(14,16-4-2)18-5-6-11-7(9)13-8(10)12-6/h3-5H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyORLAUUZWYITUIW-UHFFFAOYSA-N
XLogP1.45
TPSA126.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.45
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-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (CID 163847492) is 6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is CCOP(=O)(OCC)SCc1nc(N)nc(N)n1.
What is the InChIKey of 6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ORLAUUZWYITUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N5O3PS/c1-3-15-17(14,16-4-2)18-5-6-11-7(9)13-8(10)12-6/h3-5H2,1-2H3,(H4,9,10,11,12,13).
What are the key properties of 6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 293.29 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 163847492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).