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

C14H24N10 — CID 606605

IUPAC2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NCCCCCCNc2nc(C)nc(N)n2)n1
InChIInChI=1S/C14H24N10/c1-9-19-11(15)23-13(21-9)17-7-5-3-4-6-8-18-14-22-10(2)20-12(16)24-14/h3-8H2,1-2H3,(H3,15,17,19,21,23)(H3,16,18,20,22,24)
InChIKeyHVBQUUULYRBNDF-UHFFFAOYSA-N
MW332.42 g/mol
LogP0.92
Rot. Bonds9

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

2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 606605) has the molecular formula C14H24N10 and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID606605
Molecular FormulaC14H24N10
Molecular Weight332.42 g/mol
Exact Mass332.22
IUPAC Name2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NCCCCCCNc2nc(C)nc(N)n2)n1
InChIInChI=1S/C14H24N10/c1-9-19-11(15)23-13(21-9)17-7-5-3-4-6-8-18-14-22-10(2)20-12(16)24-14/h3-8H2,1-2H3,(H3,15,17,19,21,23)(H3,16,18,20,22,24)
InChIKeyHVBQUUULYRBNDF-UHFFFAOYSA-N
XLogP0.92
TPSA153.44 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine (CID 606605) is 2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(NCCCCCCNc2nc(C)nc(N)n2)n1.
What is the InChIKey of 2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HVBQUUULYRBNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N10/c1-9-19-11(15)23-13(21-9)17-7-5-3-4-6-8-18-14-22-10(2)20-12(16)24-14/h3-8H2,1-2H3,(H3,15,17,19,21,23)(H3,16,18,20,22,24).
What are the key properties of 2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 332.42 g/mol, XLogP of 0.92, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]hexyl]-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 606605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).