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

C12H21N3O2 — CID 79501873

IUPAC2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione
SMILESCCC(C)(N)C1=NC(=O)C(CC)(CC)C(=O)N1
InChIInChI=1S/C12H21N3O2/c1-5-11(4,13)8-14-9(16)12(6-2,7-3)10(17)15-8/h5-7,13H2,1-4H3,(H,14,15,16,17)
InChIKeyYDMPCXAFAQSFGQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.98
Rot. Bonds4

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

2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione (PubChem CID 79501873) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione
PubChem CID79501873
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione
SMILESCCC(C)(N)C1=NC(=O)C(CC)(CC)C(=O)N1
InChIInChI=1S/C12H21N3O2/c1-5-11(4,13)8-14-9(16)12(6-2,7-3)10(17)15-8/h5-7,13H2,1-4H3,(H,14,15,16,17)
InChIKeyYDMPCXAFAQSFGQ-UHFFFAOYSA-N
XLogP0.98
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.98
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-diethyl-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

Related Compounds

2-tert-butyl-5,5-diethyl-1H-pyrimidine-4,6-dione
CID 172438812
5,5-Diethyl-2-methylpyrimidine-4,6-dione
CID 3763528
2-(3-aminopentan-3-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550815
2-(2-aminobutan-2-yl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550836
1H-1,4-Diazepine-5,7(2H,6H)-dione, 3-(dimethylamino)-6,6-diethyl-2,2-dimethyl-
CID 593550
3-(dimethylamino)-2,2-dimethyl-6,6-di(propan-2-yl)-1H-1,4-diazepine-5,7-dione
CID 12463391
2-Butyl-4,4-dimethyl-1,5-dihydropyrimidin-6-one
CID 21750211
2-(2-aminopropan-2-yl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998165
2-(2-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998166
2-(3-aminopentan-3-yl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998321
2-(3-aminopentan-3-yl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998322
2-(2-aminobutan-2-yl)-5-ethyl-1H-pyrimidine-4,6-dione
CID 76998413

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione (CID 79501873) is 2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione is CCC(C)(N)C1=NC(=O)C(CC)(CC)C(=O)N1.
What is the InChIKey of 2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione?
The InChIKey is YDMPCXAFAQSFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-11(4,13)8-14-9(16)12(6-2,7-3)10(17)15-8/h5-7,13H2,1-4H3,(H,14,15,16,17).
What are the key properties of 2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione?
2-(2-aminobutan-2-yl)-5,5-diethyl-1H-pyrimidine-4,6-dione has a molecular weight of 239.32 g/mol, XLogP of 0.98, 4 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-diethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79501873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).