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

C11H19N11 — CID 126546701

IUPAC2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NCCNc2ncnc(NCCN)n2)n1
InChIInChI=1S/C11H19N11/c1-7-19-8(13)21-11(20-7)16-5-4-15-10-18-6-17-9(22-10)14-3-2-12/h6H,2-5,12H2,1H3,(H3,13,16,19,20,21)(H2,14,15,17,18,22)
InChIKeySOJDGKKWQILPSX-UHFFFAOYSA-N
MW305.35 g/mol
LogP-1.16
Rot. Bonds8

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

2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 126546701) has the molecular formula C11H19N11 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID126546701
Molecular FormulaC11H19N11
Molecular Weight305.35 g/mol
Exact Mass305.18
IUPAC Name2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NCCNc2ncnc(NCCN)n2)n1
InChIInChI=1S/C11H19N11/c1-7-19-8(13)21-11(20-7)16-5-4-15-10-18-6-17-9(22-10)14-3-2-12/h6H,2-5,12H2,1H3,(H3,13,16,19,20,21)(H2,14,15,17,18,22)
InChIKeySOJDGKKWQILPSX-UHFFFAOYSA-N
XLogP-1.16
TPSA165.47 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.35
LogP ≤ 5-1.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 126546701) is 2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(NCCNc2ncnc(NCCN)n2)n1.
What is the InChIKey of 2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SOJDGKKWQILPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N11/c1-7-19-8(13)21-11(20-7)16-5-4-15-10-18-6-17-9(22-10)14-3-2-12/h6H,2-5,12H2,1H3,(H3,13,16,19,20,21)(H2,14,15,17,18,22).
What are the key properties of 2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 305.35 g/mol, XLogP of -1.16, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-[[4-(2-aminoethylamino)-1,3,5-triazin-2-yl]amino]ethyl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 126546701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).