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

C10H8BrN3O2S2 — CID 90585499

IUPAC6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESO=S(=O)(c1ccc(Br)s1)N1Cc2cncnc2C1
InChIInChI=1S/C10H8BrN3O2S2/c11-9-1-2-10(17-9)18(15,16)14-4-7-3-12-6-13-8(7)5-14/h1-3,6H,4-5H2
InChIKeyVQUBAZUEKQGJJK-UHFFFAOYSA-N
MW346.23 g/mol
LogP2.01
Rot. Bonds2

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

6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 90585499) has the molecular formula C10H8BrN3O2S2 and a molecular weight of 346.23 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID90585499
Molecular FormulaC10H8BrN3O2S2
Molecular Weight346.23 g/mol
Exact Mass344.92
IUPAC Name6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESO=S(=O)(c1ccc(Br)s1)N1Cc2cncnc2C1
InChIInChI=1S/C10H8BrN3O2S2/c11-9-1-2-10(17-9)18(15,16)14-4-7-3-12-6-13-8(7)5-14/h1-3,6H,4-5H2
InChIKeyVQUBAZUEKQGJJK-UHFFFAOYSA-N
XLogP2.01
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 90585499) is 6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is O=S(=O)(c1ccc(Br)s1)N1Cc2cncnc2C1.
What is the InChIKey of 6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is VQUBAZUEKQGJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O2S2/c11-9-1-2-10(17-9)18(15,16)14-4-7-3-12-6-13-8(7)5-14/h1-3,6H,4-5H2.
What are the key properties of 6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 346.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)sulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 90585499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).