6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine

C29H39N15S3 — CID 137231343

About 6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine

6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 137231343) has the molecular formula C29H39N15S3 and a molecular weight of 693.94 g/mol. Its IUPAC name is 6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

• Compound Name: 6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
• PubChem CID: 137231343
• Molecular Formula: C29H39N15S3
• Molecular Weight: 693.94 g/mol
• Exact Mass: 693.27
• IUPAC Name: 6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
• SMILES: C/N=C1/NC(N(Cc2ccsc2)CC2N=C(N)NC(N(CCC3N=C(N)N/C(=N\Cc4ccsc4)N3)Cc3ccsc3)=N2)=NC(C)N1
• InChI: InChI=1S/C29H39N15S3/c1-18-34-26(32-2)42-28(35-18)44(13-21-6-10-47-17-21)14-23-37-25(31)41-29(39-23)43(12-20-5-9-46-16-20)7-3-22-36-24(30)40-27(38-22)33-11-19-4-8-45-15-19/h4-6,8-10,15-18,22-23H,3,7,11-14H2,1-2H3,(H3,31,37,39,41)(H2,32,34,35,42)(H4,30,33,36,38,40)
• InChIKey: DQQZFEHPKNDRKB-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 192.83 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	693.94
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The IUPAC name of 6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 137231343) is 6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine.

What is the SMILES notation for 6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The canonical SMILES for 6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine is C/N=C1/NC(N(Cc2ccsc2)CC2N=C(N)NC(N(CCC3N=C(N)N/C(=N\Cc4ccsc4)N3)Cc3ccsc3)=N2)=NC(C)N1.

What is the InChIKey of 6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The InChIKey is DQQZFEHPKNDRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N15S3/c1-18-34-26(32-2)42-28(35-18)44(13-21-6-10-47-17-21)14-23-37-25(31)41-29(39-23)43(12-20-5-9-46-16-20)7-3-22-36-24(30)40-27(38-22)33-11-19-4-8-45-15-19/h4-6,8-10,15-18,22-23H,3,7,11-14H2,1-2H3,(H3,31,37,39,41)(H2,32,34,35,42)(H4,30,33,36,38,40).

What are the key properties of 6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine?

6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 693.94 g/mol, XLogP of 1.44, 11 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[2-[4-amino-6-(thiophen-3-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-4-[[(2-methyl-6-methylimino-2,5-dihydro-1H-1,3,5-triazin-4-yl)-(thiophen-3-ylmethyl)amino]methyl]-6-N-(thiophen-3-ylmethyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 137231343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).