2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine

C10H16N6O2S — CID 114784046

IUPAC2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCS(C)(=O)=O)c2[nH]cnc2n1
InChIInChI=1S/C10H16N6O2S/c1-3-11-10-15-8(12-4-5-19(2,17)18)7-9(16-10)14-6-13-7/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyZVADQMXTJWUCRY-UHFFFAOYSA-N
MW284.35 g/mol
LogP0.24
Rot. Bonds6

About 2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine

2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine (PubChem CID 114784046) has the molecular formula C10H16N6O2S and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
PubChem CID114784046
Molecular FormulaC10H16N6O2S
Molecular Weight284.35 g/mol
Exact Mass284.11
IUPAC Name2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(NCCS(C)(=O)=O)c2[nH]cnc2n1
InChIInChI=1S/C10H16N6O2S/c1-3-11-10-15-8(12-4-5-19(2,17)18)7-9(16-10)14-6-13-7/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15,16)
InChIKeyZVADQMXTJWUCRY-UHFFFAOYSA-N
XLogP0.24
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-ethyl-6-N-octyl-7H-purine-2,6-diamine
CID 114785797
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
2-N,6-N-dipropyl-7H-purine-2,6-diamine
CID 114783634
N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 60919261
2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752
2-N-ethyl-6-N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785147
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114786369
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-N-ethyl-6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 117085395
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine (CID 114784046) is 2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine is CCNc1nc(NCCS(C)(=O)=O)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine?
The InChIKey is ZVADQMXTJWUCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2S/c1-3-11-10-15-8(12-4-5-19(2,17)18)7-9(16-10)14-6-13-7/h6H,3-5H2,1-2H3,(H3,11,12,13,14,15,16).
What are the key properties of 2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine?
2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine has a molecular weight of 284.35 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(2-methylsulfonylethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114784046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).