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

C11H19ClN6O — CID 55125502

IUPAC2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCCN(CC)c1nc(Cl)nc(NCC(=O)N(C)C)n1
InChIInChI=1S/C11H19ClN6O/c1-5-18(6-2)11-15-9(12)14-10(16-11)13-7-8(19)17(3)4/h5-7H2,1-4H3,(H,13,14,15,16)
InChIKeyTXOMEUPKQTVGBZ-UHFFFAOYSA-N
MW286.77 g/mol
LogP0.87
Rot. Bonds6

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

2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide (PubChem CID 55125502) has the molecular formula C11H19ClN6O and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
PubChem CID55125502
Molecular FormulaC11H19ClN6O
Molecular Weight286.77 g/mol
Exact Mass286.13
IUPAC Name2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
SMILESCCN(CC)c1nc(Cl)nc(NCC(=O)N(C)C)n1
InChIInChI=1S/C11H19ClN6O/c1-5-18(6-2)11-15-9(12)14-10(16-11)13-7-8(19)17(3)4/h5-7H2,1-4H3,(H,13,14,15,16)
InChIKeyTXOMEUPKQTVGBZ-UHFFFAOYSA-N
XLogP0.87
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 55125044
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 62864039
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62857041
6-chloro-4-N-(2-chloroethyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 27378828
6-chloro-4-N-[2-(dimethylamino)-2-methylpropyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 62864491
6-chloro-2-N,2-N-diethyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 106194753
6-chloro-2-N,2-N-diethyl-4-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 63959456
2-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenol
CID 106196572
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62862989
4-N-but-3-ynyl-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 106194921
6-chloro-2-N,2-N-diethyl-4-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 62863799
6-chloro-4-N-[[3-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 11540669

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide (CID 55125502) is 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide is CCN(CC)c1nc(Cl)nc(NCC(=O)N(C)C)n1.
What is the InChIKey of 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
The InChIKey is TXOMEUPKQTVGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6O/c1-5-18(6-2)11-15-9(12)14-10(16-11)13-7-8(19)17(3)4/h5-7H2,1-4H3,(H,13,14,15,16).
What are the key properties of 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide?
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide has a molecular weight of 286.77 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 55125502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).