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

C12H17N3O2S — CID 71805834

IUPAC6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESO=S(=O)(C1CCCCC1)N1Cc2cncnc2C1
InChIInChI=1S/C12H17N3O2S/c16-18(17,11-4-2-1-3-5-11)15-7-10-6-13-9-14-12(10)8-15/h6,9,11H,1-5,7-8H2
InChIKeyLAIQFFZTPZNTKQ-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.45
Rot. Bonds2

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

6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (PubChem CID 71805834) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
PubChem CID71805834
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
SMILESO=S(=O)(C1CCCCC1)N1Cc2cncnc2C1
InChIInChI=1S/C12H17N3O2S/c16-18(17,11-4-2-1-3-5-11)15-7-10-6-13-9-14-12(10)8-15/h6,9,11H,1-5,7-8H2
InChIKeyLAIQFFZTPZNTKQ-UHFFFAOYSA-N
XLogP1.45
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The IUPAC name of 6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine (CID 71805834) is 6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is O=S(=O)(C1CCCCC1)N1Cc2cncnc2C1.
What is the InChIKey of 6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
The InChIKey is LAIQFFZTPZNTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-18(17,11-4-2-1-3-5-11)15-7-10-6-13-9-14-12(10)8-15/h6,9,11H,1-5,7-8H2.
What are the key properties of 6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine?
6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine has a molecular weight of 267.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylsulfonyl-5,7-dihydropyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 71805834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).