2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one

C9H11N5O — CID 945041

IUPAC2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one
SMILESCc1cc(C)nc(N2CC(=O)N=C2N)n1
InChIInChI=1S/C9H11N5O/c1-5-3-6(2)12-9(11-5)14-4-7(15)13-8(14)10/h3H,4H2,1-2H3,(H2,10,13,15)
InChIKeyLMVCWWGMLDYMPS-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.25
Rot. Bonds1

About 2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one

2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one (PubChem CID 945041) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one
PubChem CID945041
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one
SMILESCc1cc(C)nc(N2CC(=O)N=C2N)n1
InChIInChI=1S/C9H11N5O/c1-5-3-6(2)12-9(11-5)14-4-7(15)13-8(14)10/h3H,4H2,1-2H3,(H2,10,13,15)
InChIKeyLMVCWWGMLDYMPS-UHFFFAOYSA-N
XLogP-0.25
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one?
The IUPAC name of 2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one (CID 945041) is 2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one.
What is the SMILES notation for 2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one?
The canonical SMILES for 2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one is Cc1cc(C)nc(N2CC(=O)N=C2N)n1.
What is the InChIKey of 2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one?
The InChIKey is LMVCWWGMLDYMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-5-3-6(2)12-9(11-5)14-4-7(15)13-8(14)10/h3H,4H2,1-2H3,(H2,10,13,15).
What are the key properties of 2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one?
2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one has a molecular weight of 205.22 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,6-dimethylpyrimidin-2-yl)-4H-imidazol-5-one is sourced from PubChem (CID 945041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).