2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione

C7H11N3O2 — CID 79502454

IUPAC2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione
SMILESCC(C)(N)C1=NC(=O)CC(=O)N1
InChIInChI=1S/C7H11N3O2/c1-7(2,8)6-9-4(11)3-5(12)10-6/h3,8H2,1-2H3,(H,9,10,11,12)
InChIKeyDWUDJISVSHNLKK-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.83
Rot. Bonds1

About 2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione

2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione (PubChem CID 79502454) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione
PubChem CID79502454
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione
SMILESCC(C)(N)C1=NC(=O)CC(=O)N1
InChIInChI=1S/C7H11N3O2/c1-7(2,8)6-9-4(11)3-5(12)10-6/h3,8H2,1-2H3,(H,9,10,11,12)
InChIKeyDWUDJISVSHNLKK-UHFFFAOYSA-N
XLogP-0.83
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.83
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-aminopropan-2-yl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione (CID 79502454) is 2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione is CC(C)(N)C1=NC(=O)CC(=O)N1.
What is the InChIKey of 2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione?
The InChIKey is DWUDJISVSHNLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-7(2,8)6-9-4(11)3-5(12)10-6/h3,8H2,1-2H3,(H,9,10,11,12).
What are the key properties of 2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione?
2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione has a molecular weight of 169.18 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79502454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).