5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C12H19N3O3 — CID 12060242

IUPAC5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CC(c2c(O)n(C)c(=O)n(C)c2=O)C(C)N1
InChIInChI=1S/C12H19N3O3/c1-6-5-8(7(2)13-6)9-10(16)14(3)12(18)15(4)11(9)17/h6-8,13,16H,5H2,1-4H3
InChIKeyKFNHDLNGSGBJPM-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.36
Rot. Bonds1

About 5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 12060242) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID12060242
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC1CC(c2c(O)n(C)c(=O)n(C)c2=O)C(C)N1
InChIInChI=1S/C12H19N3O3/c1-6-5-8(7(2)13-6)9-10(16)14(3)12(18)15(4)11(9)17/h6-8,13,16H,5H2,1-4H3
InChIKeyKFNHDLNGSGBJPM-UHFFFAOYSA-N
XLogP-0.36
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 12060242) is 5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is CC1CC(c2c(O)n(C)c(=O)n(C)c2=O)C(C)N1.
What is the InChIKey of 5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is KFNHDLNGSGBJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6-5-8(7(2)13-6)9-10(16)14(3)12(18)15(4)11(9)17/h6-8,13,16H,5H2,1-4H3.
What are the key properties of 5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 253.30 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrolidin-3-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 12060242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).