2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one

C8H13N3O — CID 59388451

IUPAC2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one
SMILESCN1C(=O)C(C)(C2CC2)N=C1N
InChIInChI=1S/C8H13N3O/c1-8(5-3-4-5)6(12)11(2)7(9)10-8/h5H,3-4H2,1-2H3,(H2,9,10)
InChIKeyBJZLXBCMAKVIRW-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.06
Rot. Bonds1

About 2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one

2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one (PubChem CID 59388451) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one
PubChem CID59388451
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one
SMILESCN1C(=O)C(C)(C2CC2)N=C1N
InChIInChI=1S/C8H13N3O/c1-8(5-3-4-5)6(12)11(2)7(9)10-8/h5H,3-4H2,1-2H3,(H2,9,10)
InChIKeyBJZLXBCMAKVIRW-UHFFFAOYSA-N
XLogP-0.06
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one?
The IUPAC name of 2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one (CID 59388451) is 2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one.
What is the SMILES notation for 2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one?
The canonical SMILES for 2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one is CN1C(=O)C(C)(C2CC2)N=C1N.
What is the InChIKey of 2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one?
The InChIKey is BJZLXBCMAKVIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(5-3-4-5)6(12)11(2)7(9)10-8/h5H,3-4H2,1-2H3,(H2,9,10).
What are the key properties of 2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one?
2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one has a molecular weight of 167.21 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclopropyl-3,5-dimethylimidazol-4-one is sourced from PubChem (CID 59388451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).