4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione

C9H9ClN4O2 — CID 66063784

IUPAC4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione
SMILESCc1nc(Cl)cc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C9H9ClN4O2/c1-5-11-6(10)2-7(12-5)14-3-8(15)13-9(16)4-14/h2H,3-4H2,1H3,(H,13,15,16)
InChIKeyJLINLEQYYMSSHN-UHFFFAOYSA-N
MW240.65 g/mol
LogP-0.10
Rot. Bonds1

About 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione

4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione (PubChem CID 66063784) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione
PubChem CID66063784
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC Name4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione
SMILESCc1nc(Cl)cc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C9H9ClN4O2/c1-5-11-6(10)2-7(12-5)14-3-8(15)13-9(16)4-14/h2H,3-4H2,1H3,(H,13,15,16)
InChIKeyJLINLEQYYMSSHN-UHFFFAOYSA-N
XLogP-0.10
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione?
The IUPAC name of 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione (CID 66063784) is 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione is Cc1nc(Cl)cc(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione?
The InChIKey is JLINLEQYYMSSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c1-5-11-6(10)2-7(12-5)14-3-8(15)13-9(16)4-14/h2H,3-4H2,1H3,(H,13,15,16).
What are the key properties of 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione?
4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione has a molecular weight of 240.65 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-methylpyrimidin-4-yl)piperazine-2,6-dione is sourced from PubChem (CID 66063784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).