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

C10H18N6O2 — CID 80787373

IUPACN-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
SMILESCCOc1nc(NC)nc(NCCNC(C)=O)n1
InChIInChI=1S/C10H18N6O2/c1-4-18-10-15-8(11-3)14-9(16-10)13-6-5-12-7(2)17/h4-6H2,1-3H3,(H,12,17)(H2,11,13,14,15,16)
InChIKeyQVDBJKLJQOLKAK-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.14
Rot. Bonds7

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

N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide (PubChem CID 80787373) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
PubChem CID80787373
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC NameN-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
SMILESCCOc1nc(NC)nc(NCCNC(C)=O)n1
InChIInChI=1S/C10H18N6O2/c1-4-18-10-15-8(11-3)14-9(16-10)13-6-5-12-7(2)17/h4-6H2,1-3H3,(H,12,17)(H2,11,13,14,15,16)
InChIKeyQVDBJKLJQOLKAK-UHFFFAOYSA-N
XLogP-0.14
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.14
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-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788350
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366530
tert-butyl N-[2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]ethyl]carbamate
CID 114518281
6-[[4-(5-carboxypentylamino)-6-ethoxy-1,3,5-triazin-2-yl]amino]hexanoic acid
CID 19427575
3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850764
2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80846117
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 80903565
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80783926
4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149830
2-N-[2-(dimethylamino)-2-methylpropyl]-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80812370
2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80840993

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide (CID 80787373) is N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide is CCOc1nc(NC)nc(NCCNC(C)=O)n1.
What is the InChIKey of N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
The InChIKey is QVDBJKLJQOLKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-4-18-10-15-8(11-3)14-9(16-10)13-6-5-12-7(2)17/h4-6H2,1-3H3,(H,12,17)(H2,11,13,14,15,16).
What are the key properties of N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide?
N-[2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of -0.14, 7 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-(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 80787373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).