3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione

C12H14N4O5 — CID 66062333

IUPAC3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O5/c1-7-11(20)13-8(17)5-16(7)10(19)6-15-4-3-9(18)14(2)12(15)21/h3-4,7H,5-6H2,1-2H3,(H,13,17,20)
InChIKeyXDTOSVOCUQVCMU-UHFFFAOYSA-N
MW294.27 g/mol
LogP-2.58
Rot. Bonds2

About 3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione

3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 66062333) has the molecular formula C12H14N4O5 and a molecular weight of 294.27 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID66062333
Molecular FormulaC12H14N4O5
Molecular Weight294.27 g/mol
Exact Mass294.10
IUPAC Name3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C12H14N4O5/c1-7-11(20)13-8(17)5-16(7)10(19)6-15-4-3-9(18)14(2)12(15)21/h3-4,7H,5-6H2,1-2H3,(H,13,17,20)
InChIKeyXDTOSVOCUQVCMU-UHFFFAOYSA-N
XLogP-2.58
TPSA110.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 5-2.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 66062333) is 3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione is CC1C(=O)NC(=O)CN1C(=O)Cn1ccc(=O)n(C)c1=O.
What is the InChIKey of 3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is XDTOSVOCUQVCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O5/c1-7-11(20)13-8(17)5-16(7)10(19)6-15-4-3-9(18)14(2)12(15)21/h3-4,7H,5-6H2,1-2H3,(H,13,17,20).
What are the key properties of 3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione?
3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 294.27 g/mol, XLogP of -2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66062333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).