4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

C25H38N14 — CID 130243921

About 4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine

4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 130243921) has the molecular formula C25H38N14 and a molecular weight of 534.68 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 130243921
• Molecular Formula: C25H38N14
• Molecular Weight: 534.68 g/mol
• Exact Mass: 534.34
• IUPAC Name: 4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: CNc1nc(NCCc2ccc(C)[nH]2)nc(N(C)CN(CCc2ccc(C)[nH]2)c2nc(N)nc(N(C)C)n2)n1
• InChI: InChI=1S/C25H38N14/c1-16-7-9-18(29-16)11-13-28-22-33-21(27-3)34-24(35-22)38(6)15-39(14-12-19-10-8-17(2)30-19)25-32-20(26)31-23(36-25)37(4)5/h7-10,29-30H,11-15H2,1-6H3,(H2,26,31,32,36)(H2,27,28,33,34,35)
• InChIKey: MOAXKMYWHPSGPS-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 168.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.68
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 130243921) is 4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is CNc1nc(NCCc2ccc(C)[nH]2)nc(N(C)CN(CCc2ccc(C)[nH]2)c2nc(N)nc(N(C)C)n2)n1.

What is the InChIKey of 4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?

The InChIKey is MOAXKMYWHPSGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N14/c1-16-7-9-18(29-16)11-13-28-22-33-21(27-3)34-24(35-22)38(6)15-39(14-12-19-10-8-17(2)30-19)25-32-20(26)31-23(36-25)37(4)5/h7-10,29-30H,11-15H2,1-6H3,(H2,26,31,32,36)(H2,27,28,33,34,35).

What are the key properties of 4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine?

4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 534.68 g/mol, XLogP of 1.82, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,4-N-dimethyl-2-N-[[methyl-[4-(methylamino)-6-[2-(5-methyl-1H-pyrrol-2-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]-2-N-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 130243921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).