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

C11H18N4O2 — CID 118613898

IUPAC5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCC(C)n1c(C(=O)N(C)C)nc2c1CN(O)C2
InChIInChI=1S/C11H18N4O2/c1-7(2)15-9-6-14(17)5-8(9)12-10(15)11(16)13(3)4/h7,17H,5-6H2,1-4H3
InChIKeyXOSUVCREPWHLJX-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.87
Rot. Bonds2

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

5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (PubChem CID 118613898) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
PubChem CID118613898
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide
SMILESCC(C)n1c(C(=O)N(C)C)nc2c1CN(O)C2
InChIInChI=1S/C11H18N4O2/c1-7(2)15-9-6-14(17)5-8(9)12-10(15)11(16)13(3)4/h7,17H,5-6H2,1-4H3
InChIKeyXOSUVCREPWHLJX-UHFFFAOYSA-N
XLogP0.87
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The IUPAC name of 5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide (CID 118613898) is 5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The canonical SMILES for 5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is CC(C)n1c(C(=O)N(C)C)nc2c1CN(O)C2.
What is the InChIKey of 5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
The InChIKey is XOSUVCREPWHLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(2)15-9-6-14(17)5-8(9)12-10(15)11(16)13(3)4/h7,17H,5-6H2,1-4H3.
What are the key properties of 5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide?
5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N,N-dimethyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboxamide is sourced from PubChem (CID 118613898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).