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

C9H15N3O2 — CID 79502166

IUPAC2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione
SMILESCCC(C)(N)C1=NC(=O)C(C)C(=O)N1
InChIInChI=1S/C9H15N3O2/c1-4-9(3,10)8-11-6(13)5(2)7(14)12-8/h5H,4,10H2,1-3H3,(H,11,12,13,14)
InChIKeyQMEDNGHTADOEMX-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.20
Rot. Bonds2

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

2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione (PubChem CID 79502166) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione
PubChem CID79502166
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione
SMILESCCC(C)(N)C1=NC(=O)C(C)C(=O)N1
InChIInChI=1S/C9H15N3O2/c1-4-9(3,10)8-11-6(13)5(2)7(14)12-8/h5H,4,10H2,1-3H3,(H,11,12,13,14)
InChIKeyQMEDNGHTADOEMX-UHFFFAOYSA-N
XLogP-0.20
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione (CID 79502166) is 2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione is CCC(C)(N)C1=NC(=O)C(C)C(=O)N1.
What is the InChIKey of 2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione?
The InChIKey is QMEDNGHTADOEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-9(3,10)8-11-6(13)5(2)7(14)12-8/h5H,4,10H2,1-3H3,(H,11,12,13,14).
What are the key properties of 2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione?
2-(2-aminobutan-2-yl)-5-methyl-1H-pyrimidine-4,6-dione has a molecular weight of 197.24 g/mol, XLogP of -0.20, 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-methyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79502166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).