4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione

C10H13N5O2 — CID 80856356

IUPAC4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione
SMILESCc1nc(N)c(C)c(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C10H13N5O2/c1-5-9(11)12-6(2)13-10(5)15-3-7(16)14-8(17)4-15/h3-4H2,1-2H3,(H2,11,12,13)(H,14,16,17)
InChIKeyADKYCOOXWGZSTJ-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.86
Rot. Bonds1

About 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione

4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione (PubChem CID 80856356) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione
PubChem CID80856356
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione
SMILESCc1nc(N)c(C)c(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C10H13N5O2/c1-5-9(11)12-6(2)13-10(5)15-3-7(16)14-8(17)4-15/h3-4H2,1-2H3,(H2,11,12,13)(H,14,16,17)
InChIKeyADKYCOOXWGZSTJ-UHFFFAOYSA-N
XLogP-0.86
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.86
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 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione?
The IUPAC name of 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione (CID 80856356) is 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione is Cc1nc(N)c(C)c(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione?
The InChIKey is ADKYCOOXWGZSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-5-9(11)12-6(2)13-10(5)15-3-7(16)14-8(17)4-15/h3-4H2,1-2H3,(H2,11,12,13)(H,14,16,17).
What are the key properties of 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione?
4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione has a molecular weight of 235.25 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-2,6-dione is sourced from PubChem (CID 80856356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).