2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione

C10H17N3O2 — CID 79502023

IUPAC2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
SMILESCCC(C)(N)C1=NC(=O)C(C)(C)C(=O)N1
InChIInChI=1S/C10H17N3O2/c1-5-10(4,11)6-12-7(14)9(2,3)8(15)13-6/h5,11H2,1-4H3,(H,12,13,14,15)
InChIKeyWLYBFCRNHCBWCW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.19
Rot. Bonds2

About 2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione

2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione (PubChem CID 79502023) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
PubChem CID79502023
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione
SMILESCCC(C)(N)C1=NC(=O)C(C)(C)C(=O)N1
InChIInChI=1S/C10H17N3O2/c1-5-10(4,11)6-12-7(14)9(2,3)8(15)13-6/h5,11H2,1-4H3,(H,12,13,14,15)
InChIKeyWLYBFCRNHCBWCW-UHFFFAOYSA-N
XLogP0.19
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione 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-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione (CID 79502023) is 2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione is CCC(C)(N)C1=NC(=O)C(C)(C)C(=O)N1.
What is the InChIKey of 2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
The InChIKey is WLYBFCRNHCBWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-5-10(4,11)6-12-7(14)9(2,3)8(15)13-6/h5,11H2,1-4H3,(H,12,13,14,15).
What are the key properties of 2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione?
2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione has a molecular weight of 211.26 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutan-2-yl)-5,5-dimethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79502023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).