2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide

C17H31N7O — CID 170285655

IUPAC2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
SMILESCCCCc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C17H31N7O/c1-5-6-7-15-19-16(22(4)12-14(18)25)21-17(20-15)24-10-8-23(9-11-24)13(2)3/h13H,5-12H2,1-4H3,(H2,18,25)
InChIKeyPFLAELVIPAJOGM-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.67
Rot. Bonds8

About 2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide

2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide (PubChem CID 170285655) has the molecular formula C17H31N7O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
PubChem CID170285655
Molecular FormulaC17H31N7O
Molecular Weight349.48 g/mol
Exact Mass349.26
IUPAC Name2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
SMILESCCCCc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1
InChIInChI=1S/C17H31N7O/c1-5-6-7-15-19-16(22(4)12-14(18)25)21-17(20-15)24-10-8-23(9-11-24)13(2)3/h13H,5-12H2,1-4H3,(H2,18,25)
InChIKeyPFLAELVIPAJOGM-UHFFFAOYSA-N
XLogP0.67
TPSA91.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[4-(Dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]-ethylamino]acetamide
CID 132381777
4-Methoxy-6-piperidin-1-yl-[1,3,5]triazine-2-carboxylic acid amide
CID 729324
4,6-Di-piperidin-1-yl-[1,3,5]triazine-2-carboxylic acid amide
CID 729562
4-Ethoxy-6-piperidin-1-yl-[1,3,5]triazine-2-carboxylic acid amide
CID 4417775
2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 42929906
2-Amino-4-carbamoyl-6-piperidino-1,3,5-triazine
CID 601007
2-Amino-4-carbamoylmethyl-6-piperidino-1,3,5-triazine
CID 616739
[1,3,5]Triazine-2-carboxylic acid, 4-ethylamino-6-piperidin-1-yl-, amide
CID 672103
1-[2-[Cyclohexyl-(4,6-dimethyl-1,3,5-triazin-2-yl)amino]ethyl]-3,3,5,5-tetramethylpiperazin-2-one
CID 20768144
(2S)-1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide
CID 59474177
1-[4-(Dimethylamino)-6-methyl-1,3,5-triazin-2-yl]pyrrolidine-2-carboxamide
CID 70672915
N,4,6-tributyl-1,3,5-triazine-2-carboxamide
CID 140440054

Frequently Asked Questions

What is the IUPAC name of 2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
The IUPAC name of 2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide (CID 170285655) is 2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide is CCCCc1nc(N(C)CC(N)=O)nc(N2CCN(C(C)C)CC2)n1.
What is the InChIKey of 2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
The InChIKey is PFLAELVIPAJOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O/c1-5-6-7-15-19-16(22(4)12-14(18)25)21-17(20-15)24-10-8-23(9-11-24)13(2)3/h13H,5-12H2,1-4H3,(H2,18,25).
What are the key properties of 2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide?
2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide has a molecular weight of 349.48 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-butyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide is sourced from PubChem (CID 170285655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).