2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione

C12H19N3O2 — CID 76998105

IUPAC2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(C2CCCCN2)NC1=O
InChIInChI=1S/C12H19N3O2/c1-2-5-8-11(16)14-10(15-12(8)17)9-6-3-4-7-13-9/h8-9,13H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyWPLZPXGXCXSKLN-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.60
Rot. Bonds3

About 2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione

2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione (PubChem CID 76998105) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione
PubChem CID76998105
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione
SMILESCCCC1C(=O)N=C(C2CCCCN2)NC1=O
InChIInChI=1S/C12H19N3O2/c1-2-5-8-11(16)14-10(15-12(8)17)9-6-3-4-7-13-9/h8-9,13H,2-7H2,1H3,(H,14,15,16,17)
InChIKeyWPLZPXGXCXSKLN-UHFFFAOYSA-N
XLogP0.60
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.60
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-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione (CID 76998105) is 2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione is CCCC1C(=O)N=C(C2CCCCN2)NC1=O.
What is the InChIKey of 2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione?
The InChIKey is WPLZPXGXCXSKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-5-8-11(16)14-10(15-12(8)17)9-6-3-4-7-13-9/h8-9,13H,2-7H2,1H3,(H,14,15,16,17).
What are the key properties of 2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione?
2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione has a molecular weight of 237.30 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).