3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione

C10H13N3O3 — CID 123463398

IUPAC3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione
SMILESCC1=NCCC(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C10H13N3O3/c1-6-11-5-4-9(15)13(6)7-2-3-8(14)12-10(7)16/h7H,2-5H2,1H3,(H,12,14,16)
InChIKeyVFNCHEKITCLHAS-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.56
Rot. Bonds1

About 3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione

3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione (PubChem CID 123463398) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione
PubChem CID123463398
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione
SMILESCC1=NCCC(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C10H13N3O3/c1-6-11-5-4-9(15)13(6)7-2-3-8(14)12-10(7)16/h7H,2-5H2,1H3,(H,12,14,16)
InChIKeyVFNCHEKITCLHAS-UHFFFAOYSA-N
XLogP-0.56
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-[3-(1-aminoethylideneamino)propyl]-N-methyl-6-oxopiperazine-2-carboxamide
CID 59185287
5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide
CID 59185300
5-[3-(1-aminoethylideneamino)propyl]-4-ethyl-N-methyl-6-oxopiperazine-2-carboxamide
CID 59185305
(5S)-5-[3-(1-aminoethylideneamino)propyl]-N,4-dimethyl-6-oxopiperazine-2-carboxamide
CID 59185306
(2R,5S)-5-[3-(1-aminoethylideneamino)propyl]-4-methyl-6-oxopiperazine-2-carboxamide
CID 89682864
(2R,5S)-5-[3-(1-aminoethylideneamino)propyl]-1,4-dimethyl-6-oxopiperazine-2-carboxamide
CID 89682871
ethane;2-methyl-4-(piperidin-1-ylmethyl)-4,5-dihydro-1H-pyrimidin-6-one
CID 141822343
N'-(1-methyl-2,6-dioxopiperidin-3-yl)butanimidamide
CID 65961258
2-Methyl-1-(1-methyl-2,6-dioxopiperidin-3-yl)guanidine
CID 65961430
1-Methyl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]piperidine-2,6-dione
CID 65961435
N'-(1-methyl-2,6-dioxopiperidin-3-yl)propanimidamide
CID 65961461
N'-(1-methyl-2,6-dioxopiperidin-3-yl)ethanimidamide
CID 65961463

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione (CID 123463398) is 3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione is CC1=NCCC(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione?
The InChIKey is VFNCHEKITCLHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-11-5-4-9(15)13(6)7-2-3-8(14)12-10(7)16/h7H,2-5H2,1H3,(H,12,14,16).
What are the key properties of 3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione?
3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione has a molecular weight of 223.23 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-oxo-4,5-dihydropyrimidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 123463398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).