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

C11H17N3O2 — CID 76998361

IUPAC5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(C2CCNCC2)NC1=O
InChIInChI=1S/C11H17N3O2/c1-2-8-10(15)13-9(14-11(8)16)7-3-5-12-6-4-7/h7-8,12H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyWSKMFMWERISLNE-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.07
Rot. Bonds2

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

5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione (PubChem CID 76998361) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione
PubChem CID76998361
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione
SMILESCCC1C(=O)N=C(C2CCNCC2)NC1=O
InChIInChI=1S/C11H17N3O2/c1-2-8-10(15)13-9(14-11(8)16)7-3-5-12-6-4-7/h7-8,12H,2-6H2,1H3,(H,13,14,15,16)
InChIKeyWSKMFMWERISLNE-UHFFFAOYSA-N
XLogP0.07
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.07
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

5-fluoro-2-piperidin-3-yl-1H-pyrimidine-4,6-dione
CID 80550883
5-fluoro-2-piperidin-4-yl-1H-pyrimidine-4,6-dione
CID 80550911
3-(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)pentane-2,4-dione
CID 58934368
2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione
CID 59505089
2-Ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one
CID 90089683
2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 90089791
3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide
CID 91076526
N-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxamide
CID 123794760
N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide
CID 163585117
2-methyl-N-(piperidine-4-carboximidoyl)propanamide
CID 173465793
N-(2-methylpropanimidoyl)piperidine-4-carboxamide
CID 173475336
N-(1-amino-2-methylpropylidene)piperidine-4-carboxamide
CID 68404869

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione (CID 76998361) is 5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione is CCC1C(=O)N=C(C2CCNCC2)NC1=O.
What is the InChIKey of 5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione?
The InChIKey is WSKMFMWERISLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-8-10(15)13-9(14-11(8)16)7-3-5-12-6-4-7/h7-8,12H,2-6H2,1H3,(H,13,14,15,16).
What are the key properties of 5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione?
5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione has a molecular weight of 223.28 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 76998361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).