3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione

C11H15N5O2 — CID 80851054

IUPAC3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCNc1cc(N2CC(=O)NC(=O)C2C)nc(C)n1
InChIInChI=1S/C11H15N5O2/c1-6-11(18)15-10(17)5-16(6)9-4-8(12-3)13-7(2)14-9/h4,6H,5H2,1-3H3,(H,12,13,14)(H,15,17,18)
InChIKeyFRLOXXGSISMEAM-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.32
Rot. Bonds2

About 3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione

3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione (PubChem CID 80851054) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
PubChem CID80851054
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione
SMILESCNc1cc(N2CC(=O)NC(=O)C2C)nc(C)n1
InChIInChI=1S/C11H15N5O2/c1-6-11(18)15-10(17)5-16(6)9-4-8(12-3)13-7(2)14-9/h4,6H,5H2,1-3H3,(H,12,13,14)(H,15,17,18)
InChIKeyFRLOXXGSISMEAM-UHFFFAOYSA-N
XLogP-0.32
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione (CID 80851054) is 3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione is CNc1cc(N2CC(=O)NC(=O)C2C)nc(C)n1.
What is the InChIKey of 3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
The InChIKey is FRLOXXGSISMEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6-11(18)15-10(17)5-16(6)9-4-8(12-3)13-7(2)14-9/h4,6H,5H2,1-3H3,(H,12,13,14)(H,15,17,18).
What are the key properties of 3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione?
3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperazine-2,6-dione is sourced from PubChem (CID 80851054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).