N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide

C12H16ClN7O — CID 115356878

IUPACN-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H16ClN7O/c1-12(2,3)19-8(21)6-15-10-16-9(13)17-11(18-10)20-5-4-14-7-20/h4-5,7H,6H2,1-3H3,(H,19,21)(H,15,16,17,18)
InChIKeyPSAFZHWMMIWZHM-UHFFFAOYSA-N
MW309.76 g/mol
LogP1.04
Rot. Bonds4

About N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide

N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide (PubChem CID 115356878) has the molecular formula C12H16ClN7O and a molecular weight of 309.76 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide
PubChem CID115356878
Molecular FormulaC12H16ClN7O
Molecular Weight309.76 g/mol
Exact Mass309.11
IUPAC NameN-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H16ClN7O/c1-12(2,3)19-8(21)6-15-10-16-9(13)17-11(18-10)20-5-4-14-7-20/h4-5,7H,6H2,1-3H3,(H,19,21)(H,15,16,17,18)
InChIKeyPSAFZHWMMIWZHM-UHFFFAOYSA-N
XLogP1.04
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethylurea
CID 83114169
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80786781
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 80898376
4-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 105419825
N-but-3-ynyl-4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 106194902
2-[2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864873
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419
4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
CID 64642088
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65108921

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide (CID 115356878) is N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide is CC(C)(C)NC(=O)CNc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide?
The InChIKey is PSAFZHWMMIWZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN7O/c1-12(2,3)19-8(21)6-15-10-16-9(13)17-11(18-10)20-5-4-14-7-20/h4-5,7H,6H2,1-3H3,(H,19,21)(H,15,16,17,18).
What are the key properties of N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide?
N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide has a molecular weight of 309.76 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]acetamide is sourced from PubChem (CID 115356878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).