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

C10H19N7O — CID 80808876

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H19N7O/c1-5-17(6-7(18)12-2)10-14-8(11)13-9(15-10)16(3)4/h5-6H2,1-4H3,(H,12,18)(H2,11,13,14,15)
InChIKeyNGOBNBFMQMKXJQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.91
Rot. Bonds5

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide (PubChem CID 80808876) has the molecular formula C10H19N7O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
PubChem CID80808876
Molecular FormulaC10H19N7O
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C10H19N7O/c1-5-17(6-7(18)12-2)10-14-8(11)13-9(15-10)16(3)4/h5-6H2,1-4H3,(H,12,18)(H2,11,13,14,15)
InChIKeyNGOBNBFMQMKXJQ-UHFFFAOYSA-N
XLogP-0.91
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809834
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
CID 80900599
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]ethanol
CID 80791325
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
CID 62864642
2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 79492398
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103104377
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-N,N-dimethylacetamide
CID 80780070
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80804764
[(4,6-diamino-1,3,5-triazin-2-yl)-ethylamino]methanol
CID 18793710
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
CID 80806098
2-[(2-amino-5-fluoropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 80808590
2-[(6-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80647459

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide (CID 80808876) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide?
The InChIKey is NGOBNBFMQMKXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7O/c1-5-17(6-7(18)12-2)10-14-8(11)13-9(15-10)16(3)4/h5-6H2,1-4H3,(H,12,18)(H2,11,13,14,15).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide has a molecular weight of 253.31 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide is sourced from PubChem (CID 80808876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).