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

C6H12N5O2PS2 — CID 6543

IUPAC6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOP(=S)(OC)SCc1nc(N)nc(N)n1
InChIInChI=1S/C6H12N5O2PS2/c1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11)
InChIKeySUYHYHLFUHHVJQ-UHFFFAOYSA-N
MW281.30 g/mol
LogP0.79
Rot. Bonds5

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

6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 6543) has the molecular formula C6H12N5O2PS2 and a molecular weight of 281.30 g/mol. Its IUPAC name is 6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID6543
Molecular FormulaC6H12N5O2PS2
Molecular Weight281.30 g/mol
Exact Mass281.02
IUPAC Name6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOP(=S)(OC)SCc1nc(N)nc(N)n1
InChIInChI=1S/C6H12N5O2PS2/c1-12-14(15,13-2)16-3-4-9-5(7)11-6(8)10-4/h3H2,1-2H3,(H4,7,8,9,10,11)
InChIKeySUYHYHLFUHHVJQ-UHFFFAOYSA-N
XLogP0.79
TPSA109.17 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 ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-(Dimethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 102602023
4-Methoxy-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 13388288
O-methyl (4-amino-6-methoxy-1,3,5-triazin-2-yl)methylsulfanylmethanethioate
CID 53646331
6-[[Methoxy(methylsulfanyl)phosphoryl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 67127248
6-(Dihydroxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 88786332
6-(dimethoxyphosphinothioylsulfanylmethyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 154108072
6-(Diethoxyphosphorylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 163847492
Methane;6-methyl-1,3,5-triazine-2,4-diamine;dithiophosphate
CID 20975411

Frequently Asked Questions

What is the IUPAC name of 6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (CID 6543) is 6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is COP(=S)(OC)SCc1nc(N)nc(N)n1.
What is the InChIKey of 6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SUYHYHLFUHHVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N5O2PS2/c1-12-14(15,13-2)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-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 281.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethoxyphosphinothioylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).