1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione

C15H21N3O4 — CID 136526307

IUPAC1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione
SMILESCC(C)C1(C)CC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O
InChIInChI=1S/C15H21N3O4/c1-9(2)15(3)7-12(20)18(13(15)21)8-10-6-11(19)17(5)14(22)16(10)4/h6,9H,7-8H2,1-5H3
InChIKeyQYUYHOSRKFVCTH-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.01
Rot. Bonds3

About 1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione (PubChem CID 136526307) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione
PubChem CID136526307
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione
SMILESCC(C)C1(C)CC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O
InChIInChI=1S/C15H21N3O4/c1-9(2)15(3)7-12(20)18(13(15)21)8-10-6-11(19)17(5)14(22)16(10)4/h6,9H,7-8H2,1-5H3
InChIKeyQYUYHOSRKFVCTH-UHFFFAOYSA-N
XLogP0.01
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-6,6,8,8-tetramethyl-7-oxa-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97229164
4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoic acid
CID 43437456
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide
CID 78899614
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 115319953
1-[(1-hydroxycycloheptyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 65122171
1,3-dimethyl-6-[(4-propylpiperazin-1-yl)methyl]pyrimidine-2,4-dione
CID 71900504
6-(iodomethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 64788549
3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 75484140
6-[[4-ethyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 127661265
1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 83084913
6-[(2,6-dimethylpiperazin-1-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 63908860
1,3-dimethyl-6-[(pyrrol-1-ylamino)methyl]pyrimidine-2,4-dione
CID 79100621

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione (CID 136526307) is 1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione is CC(C)C1(C)CC(=O)N(Cc2cc(=O)n(C)c(=O)n2C)C1=O.
What is the InChIKey of 1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is QYUYHOSRKFVCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-9(2)15(3)7-12(20)18(13(15)21)8-10-6-11(19)17(5)14(22)16(10)4/h6,9H,7-8H2,1-5H3.
What are the key properties of 1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 307.35 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 136526307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).