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

C9H19N7O2S — CID 106343446

IUPAC2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C9H19N7O2S/c1-4-12-19(17,18)6-5-11-8-13-7(10)14-9(15-8)16(2)3/h12H,4-6H2,1-3H3,(H3,10,11,13,14,15)
InChIKeyDFYKFQSKDNIDQW-UHFFFAOYSA-N
MW289.37 g/mol
LogP-1.13
Rot. Bonds7

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

2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide (PubChem CID 106343446) has the molecular formula C9H19N7O2S and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide
PubChem CID106343446
Molecular FormulaC9H19N7O2S
Molecular Weight289.37 g/mol
Exact Mass289.13
IUPAC Name2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C9H19N7O2S/c1-4-12-19(17,18)6-5-11-8-13-7(10)14-9(15-8)16(2)3/h12H,4-6H2,1-3H3,(H3,10,11,13,14,15)
InChIKeyDFYKFQSKDNIDQW-UHFFFAOYSA-N
XLogP-1.13
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylethanesulfonamide
CID 106343509
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80788682
4-N-[2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 130243747
2-N,2-N-dimethyl-4-N-(4-methylpentyl)-1,3,5-triazine-2,4,6-triamine
CID 80831643
N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 80775196
4-N-[3-[9-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propylamino]nonylamino]propyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 45264890
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 80786919
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide
CID 104924254
ethyl 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80789784
3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-3-ol
CID 80842330
N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide
CID 103858115
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80829643

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide (CID 106343446) is 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide?
The InChIKey is DFYKFQSKDNIDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N7O2S/c1-4-12-19(17,18)6-5-11-8-13-7(10)14-9(15-8)16(2)3/h12H,4-6H2,1-3H3,(H3,10,11,13,14,15).
What are the key properties of 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide?
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide has a molecular weight of 289.37 g/mol, XLogP of -1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106343446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).