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

C8H13N3O2 — CID 118613853

IUPAC2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCOc1nc2c(n1C)CN(O)C2
InChIInChI=1S/C8H13N3O2/c1-3-13-8-9-6-4-11(12)5-7(6)10(8)2/h12H,3-5H2,1-2H3
InChIKeyXWPLYLMOBVZNKB-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.52
Rot. Bonds2

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

2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118613853) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118613853
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCCOc1nc2c(n1C)CN(O)C2
InChIInChI=1S/C8H13N3O2/c1-3-13-8-9-6-4-11(12)5-7(6)10(8)2/h12H,3-5H2,1-2H3
InChIKeyXWPLYLMOBVZNKB-UHFFFAOYSA-N
XLogP0.52
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613806
5-Hydroxy-2-methyl-3-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613867
2-(Difluoromethyl)-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614117
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
5-Hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613808
Methyl 5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxylate
CID 118613833
5-Hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carbonitrile
CID 118613835
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
2-Cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613845
5-Hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613848

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118613853) is 2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole is CCOc1nc2c(n1C)CN(O)C2.
What is the InChIKey of 2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is XWPLYLMOBVZNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-13-8-9-6-4-11(12)5-7(6)10(8)2/h12H,3-5H2,1-2H3.
What are the key properties of 2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole?
2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 183.21 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).