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

C12H19N3O2 — CID 71397483

IUPAC2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione
SMILESCC(C)C1C(=O)N=C(N2CCCCC2)NC1=O
InChIInChI=1S/C12H19N3O2/c1-8(2)9-10(16)13-12(14-11(9)17)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,13,14,16,17)
InChIKeyRGQAFZSEPZZQFL-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.76
Rot. Bonds1

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

2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione (PubChem CID 71397483) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione
PubChem CID71397483
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione
SMILESCC(C)C1C(=O)N=C(N2CCCCC2)NC1=O
InChIInChI=1S/C12H19N3O2/c1-8(2)9-10(16)13-12(14-11(9)17)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,13,14,16,17)
InChIKeyRGQAFZSEPZZQFL-UHFFFAOYSA-N
XLogP0.76
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
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-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione (CID 71397483) is 2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione is CC(C)C1C(=O)N=C(N2CCCCC2)NC1=O.
What is the InChIKey of 2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione?
The InChIKey is RGQAFZSEPZZQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(2)9-10(16)13-12(14-11(9)17)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,13,14,16,17).
What are the key properties of 2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione?
2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione has a molecular weight of 237.30 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-propan-2-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 71397483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).