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

C11H16N8O — CID 80786781

IUPACN-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCCNC(=O)CNc1nc(NC)nc(-n2ccnc2)n1
InChIInChI=1S/C11H16N8O/c1-3-14-8(20)6-15-10-16-9(12-2)17-11(18-10)19-5-4-13-7-19/h4-5,7H,3,6H2,1-2H3,(H,14,20)(H2,12,15,16,17,18)
InChIKeyQMVKTRUEMRXPCT-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.35
Rot. Bonds6

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

N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 80786781) has the molecular formula C11H16N8O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID80786781
Molecular FormulaC11H16N8O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCCNC(=O)CNc1nc(NC)nc(-n2ccnc2)n1
InChIInChI=1S/C11H16N8O/c1-3-14-8(20)6-15-10-16-9(12-2)17-11(18-10)19-5-4-13-7-19/h4-5,7H,3,6H2,1-2H3,(H,14,20)(H2,12,15,16,17,18)
InChIKeyQMVKTRUEMRXPCT-UHFFFAOYSA-N
XLogP-0.35
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide with MolForge

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Related Compounds

2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80898376
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
1-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpentan-2-ol
CID 106296305
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217
N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 115356878
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848735
2-N-(cyclobutylmethyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80783009
2-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779864
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 104556976
5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324013
4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80887416
2-N,4-N-diethyl-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80775772

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide (CID 80786781) is N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide is CCNC(=O)CNc1nc(NC)nc(-n2ccnc2)n1.
What is the InChIKey of N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is QMVKTRUEMRXPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O/c1-3-14-8(20)6-15-10-16-9(12-2)17-11(18-10)19-5-4-13-7-19/h4-5,7H,3,6H2,1-2H3,(H,14,20)(H2,12,15,16,17,18).
What are the key properties of N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide?
N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 276.30 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 80786781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).