2-amino-4,4-dimethyl-1H-imidazol-5-one

C5H9N3O — CID 82996978

IUPAC2-amino-4,4-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(N)NC1=O
InChIInChI=1S/C5H9N3O/c1-5(2)3(9)7-4(6)8-5/h1-2H3,(H3,6,7,8,9)
InChIKeyDTRFHFFGRPIIFD-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.79
Rot. Bonds

About 2-amino-4,4-dimethyl-1H-imidazol-5-one

2-amino-4,4-dimethyl-1H-imidazol-5-one (PubChem CID 82996978) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-amino-4,4-dimethyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4,4-dimethyl-1H-imidazol-5-one
PubChem CID82996978
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-amino-4,4-dimethyl-1H-imidazol-5-one
SMILESCC1(C)N=C(N)NC1=O
InChIInChI=1S/C5H9N3O/c1-5(2)3(9)7-4(6)8-5/h1-2H3,(H3,6,7,8,9)
InChIKeyDTRFHFFGRPIIFD-UHFFFAOYSA-N
XLogP-0.79
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-dimethyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4,4-dimethyl-1H-imidazol-5-one (CID 82996978) is 2-amino-4,4-dimethyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4,4-dimethyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4,4-dimethyl-1H-imidazol-5-one is CC1(C)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4,4-dimethyl-1H-imidazol-5-one?
The InChIKey is DTRFHFFGRPIIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-5(2)3(9)7-4(6)8-5/h1-2H3,(H3,6,7,8,9).
What are the key properties of 2-amino-4,4-dimethyl-1H-imidazol-5-one?
2-amino-4,4-dimethyl-1H-imidazol-5-one has a molecular weight of 127.15 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-dimethyl-1H-imidazol-5-one is sourced from PubChem (CID 82996978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).