4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione

C11H12Cl2N4O2 — CID 102758858

IUPAC4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N4O2/c1-11(2)10(19)15-7(18)4-17(11)9-6(13)3-5(12)8(14)16-9/h3H,4H2,1-2H3,(H2,14,16)(H,15,18,19)
InChIKeyORBNEXSHQDIWAB-UHFFFAOYSA-N
MW303.15 g/mol
LogP1.21
Rot. Bonds1

About 4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione

4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 102758858) has the molecular formula C11H12Cl2N4O2 and a molecular weight of 303.15 g/mol. Its IUPAC name is 4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID102758858
Molecular FormulaC11H12Cl2N4O2
Molecular Weight303.15 g/mol
Exact Mass302.03
IUPAC Name4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1c1nc(N)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N4O2/c1-11(2)10(19)15-7(18)4-17(11)9-6(13)3-5(12)8(14)16-9/h3H,4H2,1-2H3,(H2,14,16)(H,15,18,19)
InChIKeyORBNEXSHQDIWAB-UHFFFAOYSA-N
XLogP1.21
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione (CID 102758858) is 4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1c1nc(N)c(Cl)cc1Cl.
What is the InChIKey of 4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is ORBNEXSHQDIWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2/c1-11(2)10(19)15-7(18)4-17(11)9-6(13)3-5(12)8(14)16-9/h3H,4H2,1-2H3,(H2,14,16)(H,15,18,19).
What are the key properties of 4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 303.15 g/mol, XLogP of 1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 102758858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).