3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

C10H16N4O2 — CID 118613851

IUPAC3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCn1c(C(=O)N(C)C)nc2c1CN(O)C2
InChIInChI=1S/C10H16N4O2/c1-4-14-8-6-13(16)5-7(8)11-9(14)10(15)12(2)3/h16H,4-6H2,1-3H3
InChIKeyXQBYOEXVGPIDCG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.31
Rot. Bonds2

About 3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide

3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613851) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613851
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCCn1c(C(=O)N(C)C)nc2c1CN(O)C2
InChIInChI=1S/C10H16N4O2/c1-4-14-8-6-13(16)5-7(8)11-9(14)10(15)12(2)3/h16H,4-6H2,1-3H3
InChIKeyXQBYOEXVGPIDCG-UHFFFAOYSA-N
XLogP0.31
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Difluoromethyl)-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613839
3-(difluoromethyl)-5-hydroxy-N-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613885
Tert-butyl 2-carbamoyl-3-(difluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 118614502
1-(2,3-Dimethyl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl)-2,2,2-trifluoroethanone
CID 153277592
1-Pyrrolidin-1-yl-2-(2,3,4,5-tetramethylimidazol-3-ium-1-yl)ethanone
CID 87585681
Tert-butyl 2-acetyl-3-ethyl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxylate
CID 118607896
5-Hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613800
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
N,3-diethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613840
N-cyclopropyl-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
CID 118613842

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of 3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613851) is 3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for 3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for 3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is CCn1c(C(=O)N(C)C)nc2c1CN(O)C2.
What is the InChIKey of 3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is XQBYOEXVGPIDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-14-8-6-13(16)5-7(8)11-9(14)10(15)12(2)3/h16H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-N,N-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).