6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

C7H9N3O2S — CID 71805828

IUPAC6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCS(=O)(=O)N1Cc2cncnc2C1
InChIInChI=1S/C7H9N3O2S/c1-13(11,12)10-3-6-2-8-5-9-7(6)4-10/h2,5H,3-4H2,1H3
InChIKeyZHRUXHGSEKFATC-UHFFFAOYSA-N
MW199.24 g/mol
LogP-0.25
Rot. Bonds1

About 6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine

6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 71805828) has the molecular formula C7H9N3O2S and a molecular weight of 199.24 g/mol. Its IUPAC name is 6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID71805828
Molecular FormulaC7H9N3O2S
Molecular Weight199.24 g/mol
Exact Mass199.04
IUPAC Name6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESCS(=O)(=O)N1Cc2cncnc2C1
InChIInChI=1S/C7H9N3O2S/c1-13(11,12)10-3-6-2-8-5-9-7(6)4-10/h2,5H,3-4H2,1H3
InChIKeyZHRUXHGSEKFATC-UHFFFAOYSA-N
XLogP-0.25
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 71805828) is 6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is CS(=O)(=O)N1Cc2cncnc2C1.
What is the InChIKey of 6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is ZHRUXHGSEKFATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-13(11,12)10-3-6-2-8-5-9-7(6)4-10/h2,5H,3-4H2,1H3.
What are the key properties of 6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 199.24 g/mol, XLogP of -0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 71805828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).