1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione

C11H15N5O2 — CID 112751343

IUPAC1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione
SMILESCNc1nccc(CN2CCN(C)C(=O)C2=O)n1
InChIInChI=1S/C11H15N5O2/c1-12-11-13-4-3-8(14-11)7-16-6-5-15(2)9(17)10(16)18/h3-4H,5-7H2,1-2H3,(H,12,13,14)
InChIKeyNUZQXMUJRLQEDU-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.68
Rot. Bonds3

About 1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione

1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione (PubChem CID 112751343) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione
PubChem CID112751343
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione
SMILESCNc1nccc(CN2CCN(C)C(=O)C2=O)n1
InChIInChI=1S/C11H15N5O2/c1-12-11-13-4-3-8(14-11)7-16-6-5-15(2)9(17)10(16)18/h3-4H,5-7H2,1-2H3,(H,12,13,14)
InChIKeyNUZQXMUJRLQEDU-UHFFFAOYSA-N
XLogP-0.68
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione?
The IUPAC name of 1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione (CID 112751343) is 1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione is CNc1nccc(CN2CCN(C)C(=O)C2=O)n1.
What is the InChIKey of 1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione?
The InChIKey is NUZQXMUJRLQEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-12-11-13-4-3-8(14-11)7-16-6-5-15(2)9(17)10(16)18/h3-4H,5-7H2,1-2H3,(H,12,13,14).
What are the key properties of 1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione?
1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione has a molecular weight of 249.27 g/mol, XLogP of -0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-(methylamino)pyrimidin-4-yl]methyl]piperazine-2,3-dione is sourced from PubChem (CID 112751343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).