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

C10H15N3O2 — CID 79500888

IUPAC5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
SMILESCC1C(=O)N=C(C2CCCCN2)NC1=O
InChIInChI=1S/C10H15N3O2/c1-6-9(14)12-8(13-10(6)15)7-4-2-3-5-11-7/h6-7,11H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyXYOANTBTKNCDEN-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.18
Rot. Bonds1

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

5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione (PubChem CID 79500888) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
PubChem CID79500888
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione
SMILESCC1C(=O)N=C(C2CCCCN2)NC1=O
InChIInChI=1S/C10H15N3O2/c1-6-9(14)12-8(13-10(6)15)7-4-2-3-5-11-7/h6-7,11H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyXYOANTBTKNCDEN-UHFFFAOYSA-N
XLogP-0.18
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.18
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-piperidin-3-yl-1H-pyrimidine-4,6-dione
CID 80550883
5-fluoro-2-(1-piperazin-1-ylbutyl)-1H-pyrimidine-4,6-dione
CID 80550894
5-fluoro-2-piperidin-4-yl-1H-pyrimidine-4,6-dione
CID 80550911
2-piperidin-2-yl-1H-pyrimidine-4,6-dione
CID 79501539
(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-(1-piperazin-1-ylethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76175609
5-ethyl-2-(1-piperazin-1-ylpropyl)-1H-pyrimidine-4,6-dione
CID 76175621

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione (CID 79500888) is 5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione is CC1C(=O)N=C(C2CCCCN2)NC1=O.
What is the InChIKey of 5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
The InChIKey is XYOANTBTKNCDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-9(14)12-8(13-10(6)15)7-4-2-3-5-11-7/h6-7,11H,2-5H2,1H3,(H,12,13,14,15).
What are the key properties of 5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione?
5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione has a molecular weight of 209.25 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-2-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 79500888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).