4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione

C11H16N6O3 — CID 113401894

IUPAC4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione
SMILESCCOCc1nc(NN)cc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C11H16N6O3/c1-2-20-6-8-13-7(16-12)3-9(14-8)17-4-10(18)15-11(19)5-17/h3H,2,4-6,12H2,1H3,(H,13,14,16)(H,15,18,19)
InChIKeyDNFWXPWSIWFDOZ-UHFFFAOYSA-N
MW280.29 g/mol
LogP-1.24
Rot. Bonds5

About 4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione

4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione (PubChem CID 113401894) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione
PubChem CID113401894
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione
SMILESCCOCc1nc(NN)cc(N2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C11H16N6O3/c1-2-20-6-8-13-7(16-12)3-9(14-8)17-4-10(18)15-11(19)5-17/h3H,2,4-6,12H2,1H3,(H,13,14,16)(H,15,18,19)
InChIKeyDNFWXPWSIWFDOZ-UHFFFAOYSA-N
XLogP-1.24
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione (CID 113401894) is 4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione is CCOCc1nc(NN)cc(N2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione?
The InChIKey is DNFWXPWSIWFDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3/c1-2-20-6-8-13-7(16-12)3-9(14-8)17-4-10(18)15-11(19)5-17/h3H,2,4-6,12H2,1H3,(H,13,14,16)(H,15,18,19).
What are the key properties of 4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione?
4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione has a molecular weight of 280.29 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]piperazine-2,6-dione is sourced from PubChem (CID 113401894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).