N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide

C9H16N6O2 — CID 6492110

IUPACN-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCCNc1nc(N)nc(OCCNC(C)=O)n1
InChIInChI=1S/C9H16N6O2/c1-3-11-8-13-7(10)14-9(15-8)17-5-4-12-6(2)16/h3-5H2,1-2H3,(H,12,16)(H3,10,11,13,14,15)
InChIKeyIIASPYLAWPOICH-UHFFFAOYSA-N
MW240.27 g/mol
LogP-0.60
Rot. Bonds6

About N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide

N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (PubChem CID 6492110) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
PubChem CID6492110
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC NameN-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide
SMILESCCNc1nc(N)nc(OCCNC(C)=O)n1
InChIInChI=1S/C9H16N6O2/c1-3-11-8-13-7(10)14-9(15-8)17-5-4-12-6(2)16/h3-5H2,1-2H3,(H,12,16)(H3,10,11,13,14,15)
InChIKeyIIASPYLAWPOICH-UHFFFAOYSA-N
XLogP-0.60
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
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-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The IUPAC name of N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide (CID 6492110) is N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is CCNc1nc(N)nc(OCCNC(C)=O)n1.
What is the InChIKey of N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
The InChIKey is IIASPYLAWPOICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-3-11-8-13-7(10)14-9(15-8)17-5-4-12-6(2)16/h3-5H2,1-2H3,(H,12,16)(H3,10,11,13,14,15).
What are the key properties of N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide?
N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide has a molecular weight of 240.27 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]acetamide is sourced from PubChem (CID 6492110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).