2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide

C17H31N7O — CID 167424711

IUPAC2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCC(C)Cc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C17H31N7O/c1-12(2)10-15-19-16(22(5)11-14(18)25)21-17(20-15)24-8-6-23(7-9-24)13(3)4/h12-13H,6-11H2,1-5H3,(H2,18,25)
InChIKeyZYBJAMJPGCGQEN-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.52
Rot. Bonds7

About 2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide

2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 167424711) has the molecular formula C17H31N7O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID167424711
Molecular FormulaC17H31N7O
Molecular Weight349.48 g/mol
Exact Mass349.26
IUPAC Name2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
SMILESCC(C)Cc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C17H31N7O/c1-12(2)10-15-19-16(22(5)11-14(18)25)21-17(20-15)24-8-6-23(7-9-24)13(3)4/h12-13H,6-11H2,1-5H3,(H2,18,25)
InChIKeyZYBJAMJPGCGQEN-UHFFFAOYSA-N
XLogP0.52
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide with MolForge

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Related Compounds

1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidine-4-carboxamide
CID 34682450
2-[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-ethylamino]acetamide
CID 132381777
2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 42929906
1-[2-[Cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 142081499
2-[[4-(4-Ethylpiperazin-1-yl)-6-methyl-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 156809040
Ethane;2-[methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
CID 156812725
2-[Methyl-[4-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
CID 156812726
2-[Methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
CID 156812727
2-[Methyl-[4-(3-methylbutyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
CID 169641353
2-[[4-Ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 170203406
1-[Methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]propan-2-one
CID 170243899
2-[[4-Butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 170285655

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide (CID 167424711) is 2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for 2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is CC(C)Cc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1.
What is the InChIKey of 2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is ZYBJAMJPGCGQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O/c1-12(2)10-15-19-16(22(5)11-14(18)25)21-17(20-15)24-8-6-23(7-9-24)13(3)4/h12-13H,6-11H2,1-5H3,(H2,18,25).
What are the key properties of 2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide?
2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 349.48 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 167424711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).