2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide

C10H20N6O2S — CID 106343596

IUPAC2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCCNc1cc(NCCS(=O)(=O)N(C)C)nc(N)n1
InChIInChI=1S/C10H20N6O2S/c1-4-12-8-7-9(15-10(11)14-8)13-5-6-19(17,18)16(2)3/h7H,4-6H2,1-3H3,(H4,11,12,13,14,15)
InChIKeyUAFDSOJMYZUGJK-UHFFFAOYSA-N
MW288.38 g/mol
LogP-0.21
Rot. Bonds7

About 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide

2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide (PubChem CID 106343596) has the molecular formula C10H20N6O2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
PubChem CID106343596
Molecular FormulaC10H20N6O2S
Molecular Weight288.38 g/mol
Exact Mass288.14
IUPAC Name2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
SMILESCCNc1cc(NCCS(=O)(=O)N(C)C)nc(N)n1
InChIInChI=1S/C10H20N6O2S/c1-4-12-8-7-9(15-10(11)14-8)13-5-6-19(17,18)16(2)3/h7H,4-6H2,1-3H3,(H4,11,12,13,14,15)
InChIKeyUAFDSOJMYZUGJK-UHFFFAOYSA-N
XLogP-0.21
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343565
4-N-[2-(diethylamino)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80770310
2-[(6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341141
2-[[6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide
CID 106341151
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
N,N-dimethyl-2-[[6-(methylamino)pyrimidin-4-yl]amino]ethanesulfonamide
CID 114176091
N,N-dimethyl-2-[[6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 106343460
2-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106341655
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80823298
methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
CID 80797128
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338610

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide (CID 106343596) is 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide is CCNc1cc(NCCS(=O)(=O)N(C)C)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
The InChIKey is UAFDSOJMYZUGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2S/c1-4-12-8-7-9(15-10(11)14-8)13-5-6-19(17,18)16(2)3/h7H,4-6H2,1-3H3,(H4,11,12,13,14,15).
What are the key properties of 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide?
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide has a molecular weight of 288.38 g/mol, XLogP of -0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106343596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).