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

C12H16N4O2 — CID 66278904

IUPAC4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCc1cnc(N2CC(=O)NC(=O)C2(C)C)c(N)c1
InChIInChI=1S/C12H16N4O2/c1-7-4-8(13)10(14-5-7)16-6-9(17)15-11(18)12(16,2)3/h4-5H,6,13H2,1-3H3,(H,15,17,18)
InChIKeyXWQZFAOEGOTZTI-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.21
Rot. Bonds1

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

4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66278904) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66278904
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCc1cnc(N2CC(=O)NC(=O)C2(C)C)c(N)c1
InChIInChI=1S/C12H16N4O2/c1-7-4-8(13)10(14-5-7)16-6-9(17)15-11(18)12(16,2)3/h4-5H,6,13H2,1-3H3,(H,15,17,18)
InChIKeyXWQZFAOEGOTZTI-UHFFFAOYSA-N
XLogP0.21
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.21
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-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione (CID 66278904) is 4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione is Cc1cnc(N2CC(=O)NC(=O)C2(C)C)c(N)c1.
What is the InChIKey of 4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is XWQZFAOEGOTZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-4-8(13)10(14-5-7)16-6-9(17)15-11(18)12(16,2)3/h4-5H,6,13H2,1-3H3,(H,15,17,18).
What are the key properties of 4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione?
4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 248.29 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66278904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).