5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate

C12H18N3O3- — CID 101221530

IUPAC5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
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/p-1
InChIKeyKFNHDLNGSGBJPM-UHFFFAOYSA-M
MW252.29 g/mol
LogP-0.99
Rot. Bonds1

About 5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate

5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate (PubChem CID 101221530) has the molecular formula C12H18N3O3- and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
PubChem CID101221530
Molecular FormulaC12H18N3O3-
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
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/p-1
InChIKeyKFNHDLNGSGBJPM-UHFFFAOYSA-M
XLogP-0.99
TPSA79.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate?
The IUPAC name of 5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate (CID 101221530) is 5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate.
What is the SMILES notation for 5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate?
The canonical SMILES for 5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate 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)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate?
The InChIKey is KFNHDLNGSGBJPM-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate?
5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate has a molecular weight of 252.29 g/mol, XLogP of -0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrolidin-3-yl)-1,3-dimethyl-2,6-dioxopyrimidin-4-olate is sourced from PubChem (CID 101221530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).