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

C11H17N3O2 — CID 79500743

IUPAC5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione
SMILESCC1(C)C(=O)N=C(C2CCNCC2)NC1=O
InChIInChI=1S/C11H17N3O2/c1-11(2)9(15)13-8(14-10(11)16)7-3-5-12-6-4-7/h7,12H,3-6H2,1-2H3,(H,13,14,15,16)
InChIKeyZULDRKQVMNTHGM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.07
Rot. Bonds1

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

5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione (PubChem CID 79500743) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione
PubChem CID79500743
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione
SMILESCC1(C)C(=O)N=C(C2CCNCC2)NC1=O
InChIInChI=1S/C11H17N3O2/c1-11(2)9(15)13-8(14-10(11)16)7-3-5-12-6-4-7/h7,12H,3-6H2,1-2H3,(H,13,14,15,16)
InChIKeyZULDRKQVMNTHGM-UHFFFAOYSA-N
XLogP0.07
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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'}

Analyze 5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione with MolForge

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Launch Full Analysis

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
2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione
CID 59505089
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-(3,4-dimethylpiperidin-4-yl)-N-methylcarbonimidoyl]-2-methylpropanamide
CID 156523477
N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide
CID 163585117
2-methyl-N-(piperidine-4-carboximidoyl)propanamide
CID 173465793
5-ethyl-2-(piperazin-1-ylmethyl)-1H-pyrimidine-4,6-dione
CID 76175597
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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione (CID 79500743) is 5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione is CC1(C)C(=O)N=C(C2CCNCC2)NC1=O.
What is the InChIKey of 5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione?
The InChIKey is ZULDRKQVMNTHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2)9(15)13-8(14-10(11)16)7-3-5-12-6-4-7/h7,12H,3-6H2,1-2H3,(H,13,14,15,16).
What are the key properties of 5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione?
5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione has a molecular weight of 223.28 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-piperidin-4-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79500743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).