5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole

C7H11N3O2S — CID 118613854

IUPAC5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1c(S(C)=O)nc2c1CN(O)C2
InChIInChI=1S/C7H11N3O2S/c1-9-6-4-10(11)3-5(6)8-7(9)13(2)12/h11H,3-4H2,1-2H3
InChIKeyVNPLQRNHBDMKHC-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.14
Rot. Bonds1

About 5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole

5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118613854) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118613854
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCn1c(S(C)=O)nc2c1CN(O)C2
InChIInChI=1S/C7H11N3O2S/c1-9-6-4-10(11)3-5(6)8-7(9)13(2)12/h11H,3-4H2,1-2H3
InChIKeyVNPLQRNHBDMKHC-UHFFFAOYSA-N
XLogP-0.14
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Difluoromethyl)-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613860
3-(difluoromethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118613913
2-methylsulfonyl-3-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118614192
5-Hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613800
5-Hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613805
3-Ethyl-5-hydroxy-2-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613836
5-Hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613837
5-Hydroxy-2-methylsulfonyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613841
3-Ethyl-2-ethylsulfonyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613844
5-Hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613848
3-ethyl-2-ethylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118613852
2-Ethylsulfonyl-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613864

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118613854) is 5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole is Cn1c(S(C)=O)nc2c1CN(O)C2.
What is the InChIKey of 5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is VNPLQRNHBDMKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-9-6-4-10(11)3-5(6)8-7(9)13(2)12/h11H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole?
5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 201.25 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).