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

C11H19ClN6O — CID 3149281

IUPAC2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide
SMILESCCNc1nc(Cl)nc(NCC(=O)N(CC)CC)n1
InChIInChI=1S/C11H19ClN6O/c1-4-13-10-15-9(12)16-11(17-10)14-7-8(19)18(5-2)6-3/h4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyJOYWQCRABRMKAV-UHFFFAOYSA-N
MW286.77 g/mol
LogP1.24
Rot. Bonds7

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

2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide (PubChem CID 3149281) has the molecular formula C11H19ClN6O and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide
PubChem CID3149281
Molecular FormulaC11H19ClN6O
Molecular Weight286.77 g/mol
Exact Mass286.13
IUPAC Name2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide
SMILESCCNc1nc(Cl)nc(NCC(=O)N(CC)CC)n1
InChIInChI=1S/C11H19ClN6O/c1-4-13-10-15-9(12)16-11(17-10)14-7-8(19)18(5-2)6-3/h4-7H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyJOYWQCRABRMKAV-UHFFFAOYSA-N
XLogP1.24
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyanazine amide
CID 115299
2-[[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl](cyano)amino]-N,N-diethylpropanamide
CID 2909387
2-{cyano[4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl]amino}-N,N-diethylpropanamide
CID 4518737
2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl](cyano)amino]-N,N-diethylacetamide
CID 3130269
2-[[4,6-bis(isopropylamino)-1,3,5-triazin-2-yl](cyano)amino]-N,N-diethylacetamide
CID 658241
2-[[4-(2-Acetamidoethylamino)-6-[bis(3-aminopropyl)amino]-1,3,5-triazin-2-yl]amino]acetamide
CID 168282824
N~2~-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-N~2~-cyano-N~1~-methylglycinamide
CID 972830
2-{[6-(dimethylamino)-4-chloro(1,3,5-triazin-2-yl)]cyanoamino}-N,N-dimethylace tamide
CID 683845
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 80802981
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 135042322
2-[[4-(dimethylamino)-6-[methyl(methylaminomethyl)amino]-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 176431628
1-(4,6-Bis(isopropylamino)-1,3,5-triazin-2-yl)-2-iminoimidazolidin-4-one
CID 910743

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide?
The IUPAC name of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide (CID 3149281) is 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide is CCNc1nc(Cl)nc(NCC(=O)N(CC)CC)n1.
What is the InChIKey of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide?
The InChIKey is JOYWQCRABRMKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6O/c1-4-13-10-15-9(12)16-11(17-10)14-7-8(19)18(5-2)6-3/h4-7H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide?
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide has a molecular weight of 286.77 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N,N-diethylacetamide is sourced from PubChem (CID 3149281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).