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

C9H11N3O2S — CID 71805830

IUPAC6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESO=S(=O)(C1CC1)N1Cc2cncnc2C1
InChIInChI=1S/C9H11N3O2S/c13-15(14,8-1-2-8)12-4-7-3-10-6-11-9(7)5-12/h3,6,8H,1-2,4-5H2
InChIKeyZJXJIKVTCALOFG-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.28
Rot. Bonds2

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

6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 71805830) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID71805830
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESO=S(=O)(C1CC1)N1Cc2cncnc2C1
InChIInChI=1S/C9H11N3O2S/c13-15(14,8-1-2-8)12-4-7-3-10-6-11-9(7)5-12/h3,6,8H,1-2,4-5H2
InChIKeyZJXJIKVTCALOFG-UHFFFAOYSA-N
XLogP0.28
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 71805830) is 6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is O=S(=O)(C1CC1)N1Cc2cncnc2C1.
What is the InChIKey of 6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is ZJXJIKVTCALOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-15(14,8-1-2-8)12-4-7-3-10-6-11-9(7)5-12/h3,6,8H,1-2,4-5H2.
What are the key properties of 6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 225.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 71805830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).