6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C20H36N10S2 — CID 42584388

IUPAC6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSCCCCCCCCSCc2nc(N)nc(N(C)C)n2)n1
InChIInChI=1S/C20H36N10S2/c1-29(2)19-25-15(23-17(21)27-19)13-31-11-9-7-5-6-8-10-12-32-14-16-24-18(22)28-20(26-16)30(3)4/h5-14H2,1-4H3,(H2,21,23,25,27)(H2,22,24,26,28)
InChIKeyUNSGFGAJXYUMHF-UHFFFAOYSA-N
MW480.71 g/mol
LogP2.86
Rot. Bonds15

About 6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 42584388) has the molecular formula C20H36N10S2 and a molecular weight of 480.71 g/mol. Its IUPAC name is 6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID42584388
Molecular FormulaC20H36N10S2
Molecular Weight480.71 g/mol
Exact Mass480.26
IUPAC Name6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSCCCCCCCCSCc2nc(N)nc(N(C)C)n2)n1
InChIInChI=1S/C20H36N10S2/c1-29(2)19-25-15(23-17(21)27-19)13-31-11-9-7-5-6-8-10-12-32-14-16-24-18(22)28-20(26-16)30(3)4/h5-14H2,1-4H3,(H2,21,23,25,27)(H2,22,24,26,28)
InChIKeyUNSGFGAJXYUMHF-UHFFFAOYSA-N
XLogP2.86
TPSA135.86 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.71
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 42584388) is 6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSCCCCCCCCSCc2nc(N)nc(N(C)C)n2)n1.
What is the InChIKey of 6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is UNSGFGAJXYUMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N10S2/c1-29(2)19-25-15(23-17(21)27-19)13-31-11-9-7-5-6-8-10-12-32-14-16-24-18(22)28-20(26-16)30(3)4/h5-14H2,1-4H3,(H2,21,23,25,27)(H2,22,24,26,28).
What are the key properties of 6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 480.71 g/mol, XLogP of 2.86, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 42584388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).