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

C15H19N3O2 — CID 79501586

IUPAC2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione
SMILESCCC(C)(N)C1=NC(=O)C(c2ccc(C)cc2)C(=O)N1
InChIInChI=1S/C15H19N3O2/c1-4-15(3,16)14-17-12(19)11(13(20)18-14)10-7-5-9(2)6-8-10/h5-8,11H,4,16H2,1-3H3,(H,17,18,19,20)
InChIKeyQEHSIIZAXNJMFG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.26
Rot. Bonds3

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

2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione (PubChem CID 79501586) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione
PubChem CID79501586
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione
SMILESCCC(C)(N)C1=NC(=O)C(c2ccc(C)cc2)C(=O)N1
InChIInChI=1S/C15H19N3O2/c1-4-15(3,16)14-17-12(19)11(13(20)18-14)10-7-5-9(2)6-8-10/h5-8,11H,4,16H2,1-3H3,(H,17,18,19,20)
InChIKeyQEHSIIZAXNJMFG-UHFFFAOYSA-N
XLogP1.26
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.26
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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Related Compounds

2-(1-chloroethyl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione
CID 80656383
2-(2-aminopropan-2-yl)-5-(3-fluorophenyl)-1H-pyrimidine-4,6-dione
CID 79501726
3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one
CID 604685
(5R)-2-methylsulfanyl-5-phenyl-1H-pyrimidine-4,6-dione
CID 129385795
1-methyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 112598766
2-(1-amino-2,2-dimethylpropyl)-5-(3-methylphenyl)-1H-pyrimidine-4,6-dione
CID 79487086
2-(2-aminopropyl)-5-(4-bromophenyl)-1H-pyrimidine-4,6-dione
CID 79501612
6-(4-methylphenyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
CID 136773890
3,3-dimethylpentane;ethane;1,4-xylene
CID 142196202
2-[(2R)-2-aminobutan-2-yl]-1H-pyrimidin-6-one
CID 95380525
2-[2-(methylamino)ethyl]-5-phenyl-1H-pyrimidine-4,6-dione
CID 79501110
5-(4-methylphenyl)-1-(3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948308

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione (CID 79501586) is 2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione is CCC(C)(N)C1=NC(=O)C(c2ccc(C)cc2)C(=O)N1.
What is the InChIKey of 2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione?
The InChIKey is QEHSIIZAXNJMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-15(3,16)14-17-12(19)11(13(20)18-14)10-7-5-9(2)6-8-10/h5-8,11H,4,16H2,1-3H3,(H,17,18,19,20).
What are the key properties of 2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione?
2-(2-aminobutan-2-yl)-5-(4-methylphenyl)-1H-pyrimidine-4,6-dione has a molecular weight of 273.34 g/mol, XLogP of 1.26, 3 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-(4-methylphenyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79501586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).