2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide

C12H21N7O — CID 80779307

IUPAC2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H21N7O/c1-14-9(20)8-18(2)11-15-10(13)16-12(17-11)19-6-4-3-5-7-19/h3-8H2,1-2H3,(H,14,20)(H2,13,15,16,17)
InChIKeyOEUYGIUAGXQWSZ-UHFFFAOYSA-N
MW279.35 g/mol
LogP-0.37
Rot. Bonds4

About 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide

2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide (PubChem CID 80779307) has the molecular formula C12H21N7O and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide
PubChem CID80779307
Molecular FormulaC12H21N7O
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H21N7O/c1-14-9(20)8-18(2)11-15-10(13)16-12(17-11)19-6-4-3-5-7-19/h3-8H2,1-2H3,(H,14,20)(H2,13,15,16,17)
InChIKeyOEUYGIUAGXQWSZ-UHFFFAOYSA-N
XLogP-0.37
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylpropanamide
CID 106918444
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
CID 80778498
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
CID 80783513
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylacetamide
CID 80784562
3-[[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80833137
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80814113
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80791014
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]propanenitrile
CID 80754225
4-N-methyl-6-pyrrolidin-1-yl-4-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80847737
4-N-methyl-4-N-(2-methylsulfanylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 112667710
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 80804171

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide (CID 80779307) is 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)c1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide?
The InChIKey is OEUYGIUAGXQWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O/c1-14-9(20)8-18(2)11-15-10(13)16-12(17-11)19-6-4-3-5-7-19/h3-8H2,1-2H3,(H,14,20)(H2,13,15,16,17).
What are the key properties of 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide?
2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide has a molecular weight of 279.35 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 80779307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).