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

C9H13N3O2 — CID 3045889

IUPAC2-piperidin-1-yl-1H-pyrimidine-4,6-dione
SMILESO=C1CC(=O)NC(N2CCCCC2)=N1
InChIInChI=1S/C9H13N3O2/c13-7-6-8(14)11-9(10-7)12-4-2-1-3-5-12/h1-6H2,(H,10,11,13,14)
InChIKeyYMIMSTFOLJPCFD-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.13
Rot. Bonds

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

2-piperidin-1-yl-1H-pyrimidine-4,6-dione (PubChem CID 3045889) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-piperidin-1-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-piperidin-1-yl-1H-pyrimidine-4,6-dione
PubChem CID3045889
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-piperidin-1-yl-1H-pyrimidine-4,6-dione
SMILESO=C1CC(=O)NC(N2CCCCC2)=N1
InChIInChI=1S/C9H13N3O2/c13-7-6-8(14)11-9(10-7)12-4-2-1-3-5-12/h1-6H2,(H,10,11,13,14)
InChIKeyYMIMSTFOLJPCFD-UHFFFAOYSA-N
XLogP-0.13
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.13
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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Related Compounds

4,6(1H,5H)-Pyrimidinedione, 2-(hexahydro-1H-azepin-1-yl)-
CID 3045891
5-fluoro-2-piperazin-1-yl-1H-pyrimidine-4,6-dione
CID 80550518
4,6,7,9-tetrahydro-3H-pyrimido[1,2-a]pyrimidine-2,8-dione
CID 13256629
1-(1,4,5,6-Tetrahydropyrimidin-2-yl)piperidin-2-one
CID 70326787
N'-(4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358403
N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358560
N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358645
N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
CID 140842939
N'-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 140842940
N'-(4-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 140842946
N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
CID 140842956
N'-(5-methyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 140842957

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-piperidin-1-yl-1H-pyrimidine-4,6-dione (CID 3045889) is 2-piperidin-1-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-piperidin-1-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-piperidin-1-yl-1H-pyrimidine-4,6-dione is O=C1CC(=O)NC(N2CCCCC2)=N1.
What is the InChIKey of 2-piperidin-1-yl-1H-pyrimidine-4,6-dione?
The InChIKey is YMIMSTFOLJPCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-7-6-8(14)11-9(10-7)12-4-2-1-3-5-12/h1-6H2,(H,10,11,13,14).
What are the key properties of 2-piperidin-1-yl-1H-pyrimidine-4,6-dione?
2-piperidin-1-yl-1H-pyrimidine-4,6-dione has a molecular weight of 195.22 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 3045889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).