2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one

C7H13N3O2 — CID 126999904

IUPAC2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one
SMILESCOC(C)(C)C1N=C(N)NC1=O
InChIInChI=1S/C7H13N3O2/c1-7(2,12-3)4-5(11)10-6(8)9-4/h4H,1-3H3,(H3,8,9,10,11)
InChIKeyQVZMMLKIUVJTLA-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.78
Rot. Bonds2

About 2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one

2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one (PubChem CID 126999904) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one
PubChem CID126999904
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one
SMILESCOC(C)(C)C1N=C(N)NC1=O
InChIInChI=1S/C7H13N3O2/c1-7(2,12-3)4-5(11)10-6(8)9-4/h4H,1-3H3,(H3,8,9,10,11)
InChIKeyQVZMMLKIUVJTLA-UHFFFAOYSA-N
XLogP-0.78
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.78
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-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one (CID 126999904) is 2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one is COC(C)(C)C1N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one?
The InChIKey is QVZMMLKIUVJTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-7(2,12-3)4-5(11)10-6(8)9-4/h4H,1-3H3,(H3,8,9,10,11).
What are the key properties of 2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one?
2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one has a molecular weight of 171.20 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxypropan-2-yl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 126999904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).