6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine

C10H16N10O — CID 3481315

IUPAC6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCOCCc2nc(N)nc(N)n2)n1
InChIInChI=1S/C10H16N10O/c11-7-15-5(16-8(12)19-7)1-3-21-4-2-6-17-9(13)20-10(14)18-6/h1-4H2,(H4,11,12,15,16,19)(H4,13,14,17,18,20)
InChIKeyLWDVUOCVNIKQBJ-UHFFFAOYSA-N
MW292.31 g/mol
LogP-1.81
Rot. Bonds6

About 6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine

6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 3481315) has the molecular formula C10H16N10O and a molecular weight of 292.31 g/mol. Its IUPAC name is 6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID3481315
Molecular FormulaC10H16N10O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCOCCc2nc(N)nc(N)n2)n1
InChIInChI=1S/C10H16N10O/c11-7-15-5(16-8(12)19-7)1-3-21-4-2-6-17-9(13)20-10(14)18-6/h1-4H2,(H4,11,12,15,16,19)(H4,13,14,17,18,20)
InChIKeyLWDVUOCVNIKQBJ-UHFFFAOYSA-N
XLogP-1.81
TPSA190.65 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.31
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
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 6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine (CID 3481315) is 6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCOCCc2nc(N)nc(N)n2)n1.
What is the InChIKey of 6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LWDVUOCVNIKQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N10O/c11-7-15-5(16-8(12)19-7)1-3-21-4-2-6-17-9(13)20-10(14)18-6/h1-4H2,(H4,11,12,15,16,19)(H4,13,14,17,18,20).
What are the key properties of 6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 292.31 g/mol, XLogP of -1.81, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3481315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).