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

C10H15N3O2 — CID 59505089

IUPAC2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)C(C2CCNCC2)C(=O)N1
InChIInChI=1S/C10H15N3O2/c1-6-12-9(14)8(10(15)13-6)7-2-4-11-5-3-7/h7-8,11H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyRKLRRKLLLHISDR-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.32
Rot. Bonds1

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

2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione (PubChem CID 59505089) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione
PubChem CID59505089
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)C(C2CCNCC2)C(=O)N1
InChIInChI=1S/C10H15N3O2/c1-6-12-9(14)8(10(15)13-6)7-2-4-11-5-3-7/h7-8,11H,2-5H2,1H3,(H,12,13,14,15)
InChIKeyRKLRRKLLLHISDR-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
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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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
2,6-Dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one
CID 20666330
tert-butyl 4-(2-methyl-4,6-dioxo-1H-pyrimidin-5-yl)piperidine-1-carboxylate
CID 59504999
2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 90089791
5-piperidin-4-yl-1H-pyrimidine-4,6-dione
CID 144027846
N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide
CID 163585117
2-piperidin-2-yl-5-propyl-1H-pyrimidine-4,6-dione
CID 76998105
2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998159
5-ethyl-2-piperidin-3-yl-1H-pyrimidine-4,6-dione
CID 76998265
2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione
CID 76998266
2-(3-aminopropyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998269

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione (CID 59505089) is 2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione is CC1=NC(=O)C(C2CCNCC2)C(=O)N1.
What is the InChIKey of 2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione?
The InChIKey is RKLRRKLLLHISDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-12-9(14)8(10(15)13-6)7-2-4-11-5-3-7/h7-8,11H,2-5H2,1H3,(H,12,13,14,15).
What are the key properties of 2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione?
2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione has a molecular weight of 209.25 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 59505089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).