N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide

C13H24N8O2 — CID 170151658

IUPACN-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide
SMILESCNc1nc(N)nc(NC(=O)NCCCCCCNC(C)=O)n1
InChIInChI=1S/C13H24N8O2/c1-9(22)16-7-5-3-4-6-8-17-13(23)21-12-19-10(14)18-11(15-2)20-12/h3-8H2,1-2H3,(H,16,22)(H5,14,15,17,18,19,20,21,23)
InChIKeyYPHMQFMHSDYGEA-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.31
Rot. Bonds9

About N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide

N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide (PubChem CID 170151658) has the molecular formula C13H24N8O2 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide.

Molecular Properties

Compound NameN-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide
PubChem CID170151658
Molecular FormulaC13H24N8O2
Molecular Weight324.39 g/mol
Exact Mass324.20
IUPAC NameN-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide
SMILESCNc1nc(N)nc(NC(=O)NCCCCCCNC(C)=O)n1
InChIInChI=1S/C13H24N8O2/c1-9(22)16-7-5-3-4-6-8-17-13(23)21-12-19-10(14)18-11(15-2)20-12/h3-8H2,1-2H3,(H,16,22)(H5,14,15,17,18,19,20,21,23)
InChIKeyYPHMQFMHSDYGEA-UHFFFAOYSA-N
XLogP0.31
TPSA146.95 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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 N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide?
The IUPAC name of N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide (CID 170151658) is N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide.
What is the SMILES notation for N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide?
The canonical SMILES for N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide is CNc1nc(N)nc(NC(=O)NCCCCCCNC(C)=O)n1.
What is the InChIKey of N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide?
The InChIKey is YPHMQFMHSDYGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N8O2/c1-9(22)16-7-5-3-4-6-8-17-13(23)21-12-19-10(14)18-11(15-2)20-12/h3-8H2,1-2H3,(H,16,22)(H5,14,15,17,18,19,20,21,23).
What are the key properties of N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide?
N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide has a molecular weight of 324.39 g/mol, XLogP of 0.31, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylamino]hexyl]acetamide is sourced from PubChem (CID 170151658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).