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

C9H13N3O2 — CID 79501539

IUPAC2-piperidin-2-yl-1H-pyrimidine-4,6-dione
SMILESO=C1CC(=O)NC(C2CCCCN2)=N1
InChIInChI=1S/C9H13N3O2/c13-7-5-8(14)12-9(11-7)6-3-1-2-4-10-6/h6,10H,1-5H2,(H,11,12,13,14)
InChIKeyFCZCPIICXIPLJN-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.43
Rot. Bonds1

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

2-piperidin-2-yl-1H-pyrimidine-4,6-dione (PubChem CID 79501539) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-piperidin-2-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-piperidin-2-yl-1H-pyrimidine-4,6-dione
PubChem CID79501539
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-piperidin-2-yl-1H-pyrimidine-4,6-dione
SMILESO=C1CC(=O)NC(C2CCCCN2)=N1
InChIInChI=1S/C9H13N3O2/c13-7-5-8(14)12-9(11-7)6-3-1-2-4-10-6/h6,10H,1-5H2,(H,11,12,13,14)
InChIKeyFCZCPIICXIPLJN-UHFFFAOYSA-N
XLogP-0.43
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.43
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-aminobutyl)-5-fluoro-1H-pyrimidine-4,6-dione
CID 80550666
5-fluoro-2-(1-piperazin-1-ylethyl)-1H-pyrimidine-4,6-dione
CID 80550817
5-fluoro-2-(1-piperazin-1-ylpropyl)-1H-pyrimidine-4,6-dione
CID 80550838
5-fluoro-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
CID 80550852
5-fluoro-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
CID 80550894
5-fluoro-2-pyrrolidin-2-yl-1H-pyrimidine-4,6-dione
CID 80550945
(4R)-4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 90089630
4-methyl-2-(1-methylpiperidin-2-yl)-4,5-dihydro-1H-pyrimidin-6-one
CID 123442516
2-amino-6-(4-aminopiperidin-1-yl)-5H-pyrimidin-4-one
CID 71772932
5-ethyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
CID 76998104
2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione
CID 76998105
5-ethyl-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
CID 76998376

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-piperidin-2-yl-1H-pyrimidine-4,6-dione (CID 79501539) is 2-piperidin-2-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-piperidin-2-yl-1H-pyrimidine-4,6-dione is O=C1CC(=O)NC(C2CCCCN2)=N1.
What is the InChIKey of 2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
The InChIKey is FCZCPIICXIPLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-7-5-8(14)12-9(11-7)6-3-1-2-4-10-6/h6,10H,1-5H2,(H,11,12,13,14).
What are the key properties of 2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
2-piperidin-2-yl-1H-pyrimidine-4,6-dione has a molecular weight of 195.22 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79501539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).