6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

C12H13N3O2S2 — CID 71805844

IUPAC6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCCc1ccc(S(=O)(=O)N2Cc3cncnc3C2)s1
InChIInChI=1S/C12H13N3O2S2/c1-2-10-3-4-12(18-10)19(16,17)15-6-9-5-13-8-14-11(9)7-15/h3-5,8H,2,6-7H2,1H3
InChIKeyUDIZNHYZAZAARF-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.80
Rot. Bonds3

About 6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 71805844) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID71805844
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCCc1ccc(S(=O)(=O)N2Cc3cncnc3C2)s1
InChIInChI=1S/C12H13N3O2S2/c1-2-10-3-4-12(18-10)19(16,17)15-6-9-5-13-8-14-11(9)7-15/h3-5,8H,2,6-7H2,1H3
InChIKeyUDIZNHYZAZAARF-UHFFFAOYSA-N
XLogP1.80
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585499
6-[4-(2-methylpropoxy)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585493
4-[7-(5-ethylthiophen-2-yl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]morpholine
CID 86264718
6-(2,4-dimethylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 71805838
6-(2,4-dimethoxyphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585489
6-(3-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585442
6-(4-nitrophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 90585464
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone
CID 154742387
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 113074210

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 71805844) is 6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is CCc1ccc(S(=O)(=O)N2Cc3cncnc3C2)s1.
What is the InChIKey of 6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is UDIZNHYZAZAARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-2-10-3-4-12(18-10)19(16,17)15-6-9-5-13-8-14-11(9)7-15/h3-5,8H,2,6-7H2,1H3.
What are the key properties of 6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 295.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethylthiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 71805844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).