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

C11H21N7O — CID 80783182

IUPAC2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
SMILESCCN(CC)c1nc(NC)nc(NCC(=O)NC)n1
InChIInChI=1S/C11H21N7O/c1-5-18(6-2)11-16-9(13-4)15-10(17-11)14-7-8(19)12-3/h5-7H2,1-4H3,(H,12,19)(H2,13,14,15,16,17)
InChIKeyVWRIOKJDNNTAQJ-UHFFFAOYSA-N
MW267.34 g/mol
LogP-0.08
Rot. Bonds7

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

2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide (PubChem CID 80783182) has the molecular formula C11H21N7O and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
PubChem CID80783182
Molecular FormulaC11H21N7O
Molecular Weight267.34 g/mol
Exact Mass267.18
IUPAC Name2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
SMILESCCN(CC)c1nc(NC)nc(NCC(=O)NC)n1
InChIInChI=1S/C11H21N7O/c1-5-18(6-2)11-16-9(13-4)15-10(17-11)14-7-8(19)12-3/h5-7H2,1-4H3,(H,12,19)(H2,13,14,15,16,17)
InChIKeyVWRIOKJDNNTAQJ-UHFFFAOYSA-N
XLogP-0.08
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80851247
5-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241626
2-[ethyl-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80809168
4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80768855
2-N,2-N-diethyl-4-N-[2-[ethyl(methyl)amino]ethyl]-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80833360
2-N,2-N-diethyl-4-N-(2-methoxyethyl)-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80766275
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
CID 80900599
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 62864039
2-N,2-N-diethyl-6-N-methyl-4-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80773355
4-N-(2-cyclopropylethyl)-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80847463
2-N,2-N-diethyl-6-N-methyl-4-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80818773
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 55125502

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide?
The IUPAC name of 2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide (CID 80783182) is 2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide is CCN(CC)c1nc(NC)nc(NCC(=O)NC)n1.
What is the InChIKey of 2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide?
The InChIKey is VWRIOKJDNNTAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7O/c1-5-18(6-2)11-16-9(13-4)15-10(17-11)14-7-8(19)12-3/h5-7H2,1-4H3,(H,12,19)(H2,13,14,15,16,17).
What are the key properties of 2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide?
2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide has a molecular weight of 267.34 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide is sourced from PubChem (CID 80783182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).