2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide

C11H14ClN7O — CID 62864217

IUPAC2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H14ClN7O/c1-7(2)15-8(20)5-14-10-16-9(12)17-11(18-10)19-4-3-13-6-19/h3-4,6-7H,5H2,1-2H3,(H,15,20)(H,14,16,17,18)
InChIKeyRJUOMKWBVOWQIN-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.65
Rot. Bonds5

About 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide

2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide (PubChem CID 62864217) has the molecular formula C11H14ClN7O and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
PubChem CID62864217
Molecular FormulaC11H14ClN7O
Molecular Weight295.73 g/mol
Exact Mass295.09
IUPAC Name2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H14ClN7O/c1-7(2)15-8(20)5-14-10-16-9(12)17-11(18-10)19-4-3-13-6-19/h3-4,6-7H,5H2,1-2H3,(H,15,20)(H,14,16,17,18)
InChIKeyRJUOMKWBVOWQIN-UHFFFAOYSA-N
XLogP0.65
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide with MolForge

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Related Compounds

N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide
CID 115356878
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80898376
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
CID 62864218
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethylurea
CID 83114169
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864568
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65108921
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 105419825
N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80786781
4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
CID 64642088
4-chloro-6-imidazol-1-yl-N-[(2-methylthiolan-2-yl)methyl]-1,3,5-triazin-2-amine
CID 80735936

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide (CID 62864217) is 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is RJUOMKWBVOWQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7O/c1-7(2)15-8(20)5-14-10-16-9(12)17-11(18-10)19-4-3-13-6-19/h3-4,6-7H,5H2,1-2H3,(H,15,20)(H,14,16,17,18).
What are the key properties of 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide?
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 295.73 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62864217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).