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

C8H13N3O — CID 82996101

IUPAC2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one
SMILESCC1(C2(C)N=C(N)NC2=O)CC1
InChIInChI=1S/C8H13N3O/c1-7(3-4-7)8(2)5(12)10-6(9)11-8/h3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyUTWNUZAVZXGLSW-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.01
Rot. Bonds1

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

2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one (PubChem CID 82996101) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one
PubChem CID82996101
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one
SMILESCC1(C2(C)N=C(N)NC2=O)CC1
InChIInChI=1S/C8H13N3O/c1-7(3-4-7)8(2)5(12)10-6(9)11-8/h3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyUTWNUZAVZXGLSW-UHFFFAOYSA-N
XLogP-0.01
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one (CID 82996101) is 2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one is CC1(C2(C)N=C(N)NC2=O)CC1.
What is the InChIKey of 2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one?
The InChIKey is UTWNUZAVZXGLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(3-4-7)8(2)5(12)10-6(9)11-8/h3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one?
2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one has a molecular weight of 167.21 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-4-(1-methylcyclopropyl)-1H-imidazol-5-one is sourced from PubChem (CID 82996101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).