2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one

C6H11N3O2 — CID 82996741

IUPAC2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one
SMILESCOCC1(C)N=C(N)NC1=O
InChIInChI=1S/C6H11N3O2/c1-6(3-11-2)4(10)8-5(7)9-6/h3H2,1-2H3,(H3,7,8,9,10)
InChIKeyZKQSGIDYAHVDDY-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.16
Rot. Bonds2

About 2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one

2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one (PubChem CID 82996741) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one
PubChem CID82996741
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one
SMILESCOCC1(C)N=C(N)NC1=O
InChIInChI=1S/C6H11N3O2/c1-6(3-11-2)4(10)8-5(7)9-6/h3H2,1-2H3,(H3,7,8,9,10)
InChIKeyZKQSGIDYAHVDDY-UHFFFAOYSA-N
XLogP-1.16
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one (CID 82996741) is 2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one is COCC1(C)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one?
The InChIKey is ZKQSGIDYAHVDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-6(3-11-2)4(10)8-5(7)9-6/h3H2,1-2H3,(H3,7,8,9,10).
What are the key properties of 2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one?
2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one has a molecular weight of 157.17 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methoxymethyl)-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 82996741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).