4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione

C11H15N5O2 — CID 80851060

IUPAC4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCc1c(N)ncnc1N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C11H15N5O2/c1-6-8(12)13-5-14-9(6)16-4-7(17)15-10(18)11(16,2)3/h5H,4H2,1-3H3,(H2,12,13,14)(H,15,17,18)
InChIKeyJOFYECJGMXAJMQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.39
Rot. Bonds1

About 4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione

4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 80851060) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID80851060
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCc1c(N)ncnc1N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C11H15N5O2/c1-6-8(12)13-5-14-9(6)16-4-7(17)15-10(18)11(16,2)3/h5H,4H2,1-3H3,(H2,12,13,14)(H,15,17,18)
InChIKeyJOFYECJGMXAJMQ-UHFFFAOYSA-N
XLogP-0.39
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.39
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-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione (CID 80851060) is 4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione is Cc1c(N)ncnc1N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is JOFYECJGMXAJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6-8(12)13-5-14-9(6)16-4-7(17)15-10(18)11(16,2)3/h5H,4H2,1-3H3,(H2,12,13,14)(H,15,17,18).
What are the key properties of 4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 249.27 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-methylpyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 80851060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).