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

C9H17N3O2 — CID 82996623

IUPAC2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one
SMILESCOC(C)(C)CC1(C)N=C(N)NC1=O
InChIInChI=1S/C9H17N3O2/c1-8(2,14-4)5-9(3)6(13)11-7(10)12-9/h5H2,1-4H3,(H3,10,11,12,13)
InChIKeyYXLWNGJFBZOWPO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.00
Rot. Bonds3

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

2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one (PubChem CID 82996623) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one
PubChem CID82996623
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one
SMILESCOC(C)(C)CC1(C)N=C(N)NC1=O
InChIInChI=1S/C9H17N3O2/c1-8(2,14-4)5-9(3)6(13)11-7(10)12-9/h5H2,1-4H3,(H3,10,11,12,13)
InChIKeyYXLWNGJFBZOWPO-UHFFFAOYSA-N
XLogP0.00
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one (CID 82996623) is 2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one is COC(C)(C)CC1(C)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one?
The InChIKey is YXLWNGJFBZOWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-8(2,14-4)5-9(3)6(13)11-7(10)12-9/h5H2,1-4H3,(H3,10,11,12,13).
What are the key properties of 2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one?
2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one has a molecular weight of 199.25 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxy-2-methylpropyl)-4-methyl-1H-imidazol-5-one is sourced from PubChem (CID 82996623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).