2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide

C17H30N8O — CID 42929906

IUPAC2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(C)c2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C17H30N8O/c1-11(14-20-16(18)22-17(21-14)23(3)4)24-7-9-25(10-8-24)12(2)15(26)19-13-5-6-13/h11-13H,5-10H2,1-4H3,(H,19,26)(H2,18,20,21,22)
InChIKeyIOXFLSGVOBKQHO-UHFFFAOYSA-N
MW362.48 g/mol
LogP-0.13
Rot. Bonds6

About 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 42929906) has the molecular formula C17H30N8O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID42929906
Molecular FormulaC17H30N8O
Molecular Weight362.48 g/mol
Exact Mass362.25
IUPAC Name2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(C(C)c2nc(N)nc(N(C)C)n2)CC1
InChIInChI=1S/C17H30N8O/c1-11(14-20-16(18)22-17(21-14)23(3)4)24-7-9-25(10-8-24)12(2)15(26)19-13-5-6-13/h11-13H,5-10H2,1-4H3,(H,19,26)(H2,18,20,21,22)
InChIKeyIOXFLSGVOBKQHO-UHFFFAOYSA-N
XLogP-0.13
TPSA103.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide with MolForge

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Related Compounds

2-[[4-(dimethylamino)-6-[2-(dimethylamino)-2-oxoethyl]-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 176431637
4-(4-Amino-6-methyl-s-triazin-2-yl)-2-piperazinone
CID 16206908
4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-2-one
CID 17557132
3,3,4,5,5-Pentamethyl-1-[2-methyl-2-[[4-methyl-6-[[2-methyl-1-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)propan-2-yl]amino]-1,3,5-triazin-2-yl]amino]propyl]piperazin-2-one
CID 59041869
2-N,4-N,6-N-tris[2-[di(propan-2-yl)amino]ethyl]-1,3,5-triazine-2,4,6-tricarboxamide
CID 59345615
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-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide
CID 142081502
2-[[4-[2-(dimethylamino)ethylamino]-6-ethyl-1,3,5-triazin-2-yl]amino]-3,5-dimethyl-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide
CID 144105388
2-[Methyl-[4-methyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
CID 156812727
2-Chloro-4,6-dimethyl-1,3,5-triazine;1,3,3,5,5-pentamethylpiperazin-2-one
CID 157623634
2-[Methyl-[4-(2-methylpropyl)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]acetamide
CID 167424711
2-[[4-Ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 170203406

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 42929906) is 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(C(C)c2nc(N)nc(N(C)C)n2)CC1.
What is the InChIKey of 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is IOXFLSGVOBKQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N8O/c1-11(14-20-16(18)22-17(21-14)23(3)4)24-7-9-25(10-8-24)12(2)15(26)19-13-5-6-13/h11-13H,5-10H2,1-4H3,(H,19,26)(H2,18,20,21,22).
What are the key properties of 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 362.48 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 42929906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).