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

C26H38N12O — CID 123937713

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

4-N,6-N-dimethyl-2-N-[[5-[2-[[4-(methylamino)-6-[3-methyl-4-(5-methyl-1H-pyrrol-2-yl)butan-2-yl]-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 123937713) has the molecular formula C26H38N12O and a molecular weight of 534.67 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-2-N-[[5-[2-[[4-(methylamino)-6-[3-methyl-4-(5-methyl-1H-pyrrol-2-yl)butan-2-yl]-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 4-N,6-N-dimethyl-2-N-[[5-[2-[[4-(methylamino)-6-[3-methyl-4-(5-methyl-1H-pyrrol-2-yl)butan-2-yl]-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 123937713
• Molecular Formula: C26H38N12O
• Molecular Weight: 534.67 g/mol
• Exact Mass: 534.33
• IUPAC Name: 4-N,6-N-dimethyl-2-N-[[5-[2-[[4-(methylamino)-6-[3-methyl-4-(5-methyl-1H-pyrrol-2-yl)butan-2-yl]-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: CNc1nc(NC)nc(NCc2ccc(CCNc3nc(NC)nc(C(C)C(C)Cc4ccc(C)[nH]4)n3)o2)n1
• InChI: InChI=1S/C26H38N12O/c1-15(13-18-8-7-16(2)32-18)17(3)21-33-22(27-4)36-25(34-21)30-12-11-19-9-10-20(39-19)14-31-26-37-23(28-5)35-24(29-6)38-26/h7-10,15,17,32H,11-14H2,1-6H3,(H2,27,30,33,34,36)(H3,28,29,31,35,37,38)
• InChIKey: FJVCTBJOEZBAEN-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 166.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	534.67
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of 4-N,6-N-dimethyl-2-N-[[5-[2-[[4-(methylamino)-6-[3-methyl-4-(5-methyl-1H-pyrrol-2-yl)butan-2-yl]-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]-1,3,5-triazine-2,4,6-triamine (CID 123937713) is 4-N,6-N-dimethyl-2-N-[[5-[2-[[4-(methylamino)-6-[3-methyl-4-(5-methyl-1H-pyrrol-2-yl)butan-2-yl]-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]-1,3,5-triazine-2,4,6-triamine.

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

The canonical SMILES for 4-N,6-N-dimethyl-2-N-[[5-[2-[[4-(methylamino)-6-[3-methyl-4-(5-methyl-1H-pyrrol-2-yl)butan-2-yl]-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]-1,3,5-triazine-2,4,6-triamine is CNc1nc(NC)nc(NCc2ccc(CCNc3nc(NC)nc(C(C)C(C)Cc4ccc(C)[nH]4)n3)o2)n1.

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

The InChIKey is FJVCTBJOEZBAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N12O/c1-15(13-18-8-7-16(2)32-18)17(3)21-33-22(27-4)36-25(34-21)30-12-11-19-9-10-20(39-19)14-31-26-37-23(28-5)35-24(29-6)38-26/h7-10,15,17,32H,11-14H2,1-6H3,(H2,27,30,33,34,36)(H3,28,29,31,35,37,38).

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

4-N,6-N-dimethyl-2-N-[[5-[2-[[4-(methylamino)-6-[3-methyl-4-(5-methyl-1H-pyrrol-2-yl)butan-2-yl]-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 534.67 g/mol, XLogP of 3.66, 14 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,6-N-dimethyl-2-N-[[5-[2-[[4-(methylamino)-6-[3-methyl-4-(5-methyl-1H-pyrrol-2-yl)butan-2-yl]-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 123937713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).