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

C11H20N6O2 — CID 80788350

IUPACN-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
SMILESCCNc1nc(NCCNC(C)=O)nc(OCC)n1
InChIInChI=1S/C11H20N6O2/c1-4-12-9-15-10(14-7-6-13-8(3)18)17-11(16-9)19-5-2/h4-7H2,1-3H3,(H,13,18)(H2,12,14,15,16,17)
InChIKeyFBGYOVFWSJWCIX-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.25
Rot. Bonds8

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

N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide (PubChem CID 80788350) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
PubChem CID80788350
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC NameN-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
SMILESCCNc1nc(NCCNC(C)=O)nc(OCC)n1
InChIInChI=1S/C11H20N6O2/c1-4-12-9-15-10(14-7-6-13-8(3)18)17-11(16-9)19-5-2/h4-7H2,1-3H3,(H,13,18)(H2,12,14,15,16,17)
InChIKeyFBGYOVFWSJWCIX-UHFFFAOYSA-N
XLogP0.25
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.25
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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Related Compounds

N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80787373
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80788310
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80775624
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770464
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
2-N-[2-(diethylamino)ethyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80770689
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea
CID 71383356
tert-butyl N-[2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]ethyl]carbamate
CID 114518281
6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523140
6-[[4-(5-carboxypentylamino)-6-ethoxy-1,3,5-triazin-2-yl]amino]hexanoic acid
CID 19427575
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide (CID 80788350) is N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide is CCNc1nc(NCCNC(C)=O)nc(OCC)n1.
What is the InChIKey of N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
The InChIKey is FBGYOVFWSJWCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-4-12-9-15-10(14-7-6-13-8(3)18)17-11(16-9)19-5-2/h4-7H2,1-3H3,(H,13,18)(H2,12,14,15,16,17).
What are the key properties of N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide has a molecular weight of 268.32 g/mol, XLogP of 0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 80788350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).