2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine

C20H19N5O2S — CID 67984968

IUPAC2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine
SMILESCCc1nc(N)c2nc(S(C)(=O)=O)n(-c3cccc(-c4ccccc4)c3)c2n1
InChIInChI=1S/C20H19N5O2S/c1-3-16-22-18(21)17-19(23-16)25(20(24-17)28(2,26)27)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-12H,3H2,1-2H3,(H2,21,22,23)
InChIKeyGLTYKLUGZHPUJK-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.03
Rot. Bonds4

About 2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine

2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine (PubChem CID 67984968) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine.

Molecular Properties

Compound Name2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine
PubChem CID67984968
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine
SMILESCCc1nc(N)c2nc(S(C)(=O)=O)n(-c3cccc(-c4ccccc4)c3)c2n1
InChIInChI=1S/C20H19N5O2S/c1-3-16-22-18(21)17-19(23-16)25(20(24-17)28(2,26)27)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-12H,3H2,1-2H3,(H2,21,22,23)
InChIKeyGLTYKLUGZHPUJK-UHFFFAOYSA-N
XLogP3.03
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-ethoxy-1-(3-methylsulfonylphenyl)-5-phenylimidazole-4-carboxylate
CID 59324686
2-(3-ethylphenyl)-4-methylsulfonyl-6-phenylpyridine
CID 15022626
1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole
CID 170020491
butan-2-yl 2-amino-1-(3-ethylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 4233482
2-ethyl-7-methyl-3-phenylimidazo[4,5-b]pyridin-6-amine
CID 141052665
3-ethyl-8-phenylquinolin-2-amine
CID 55175955
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
1-ethyl-3-phenylbenzene;propane
CID 145466525
3-ethyl-1-(3-phenylphenyl)-2H-pyridin-2-amine
CID 69369837
2-methylsulfonyl-1-phenyl-4,5,6,7-tetrahydrobenzimidazole
CID 21251011
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
9-[(6-chloro-2-pyridinyl)methyl]-2-ethyl-8-(5-fluoro-3-pyridinyl)purin-6-amine
CID 145389859

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine?
The IUPAC name of 2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine (CID 67984968) is 2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine.
What is the SMILES notation for 2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine?
The canonical SMILES for 2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine is CCc1nc(N)c2nc(S(C)(=O)=O)n(-c3cccc(-c4ccccc4)c3)c2n1.
What is the InChIKey of 2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine?
The InChIKey is GLTYKLUGZHPUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-3-16-22-18(21)17-19(23-16)25(20(24-17)28(2,26)27)15-11-7-10-14(12-15)13-8-5-4-6-9-13/h4-12H,3H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine?
2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine has a molecular weight of 393.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-methylsulfonyl-9-(3-phenylphenyl)purin-6-amine is sourced from PubChem (CID 67984968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).