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

C14H25N11 — CID 126546810

IUPAC4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(C)nc(NCCNc2nc(NC)nc(NCC)n2)n1
InChIInChI=1S/C14H25N11/c1-5-16-11-20-9(3)21-13(24-11)18-7-8-19-14-23-10(15-4)22-12(25-14)17-6-2/h5-8H2,1-4H3,(H2,16,18,20,21,24)(H3,15,17,19,22,23,25)
InChIKeyLVAZHLFTPDLTJG-UHFFFAOYSA-N
MW347.43 g/mol
LogP0.79
Rot. Bonds10

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

4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 126546810) has the molecular formula C14H25N11 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID126546810
Molecular FormulaC14H25N11
Molecular Weight347.43 g/mol
Exact Mass347.23
IUPAC Name4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(C)nc(NCCNc2nc(NC)nc(NCC)n2)n1
InChIInChI=1S/C14H25N11/c1-5-16-11-20-9(3)21-13(24-11)18-7-8-19-14-23-10(15-4)22-12(25-14)17-6-2/h5-8H2,1-4H3,(H2,16,18,20,21,24)(H3,15,17,19,22,23,25)
InChIKeyLVAZHLFTPDLTJG-UHFFFAOYSA-N
XLogP0.79
TPSA137.49 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.43
LogP ≤ 50.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 126546810) is 4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(C)nc(NCCNc2nc(NC)nc(NCC)n2)n1.
What is the InChIKey of 4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LVAZHLFTPDLTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N11/c1-5-16-11-20-9(3)21-13(24-11)18-7-8-19-14-23-10(15-4)22-12(25-14)17-6-2/h5-8H2,1-4H3,(H2,16,18,20,21,24)(H3,15,17,19,22,23,25).
What are the key properties of 4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine?
4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 347.43 g/mol, XLogP of 0.79, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N-[2-[[4-(ethylamino)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 126546810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).