7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione

C13H21N7O2 — CID 5128003

IUPAC7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCNN
InChIInChI=1S/C13H21N7O2/c1-18-10-9(11(21)17-13(18)22)20(8-5-15-14)12(16-10)19-6-3-2-4-7-19/h15H,2-8,14H2,1H3,(H,17,21,22)
InChIKeyJOTUPEINRIGGTA-UHFFFAOYSA-N
MW307.36 g/mol
LogP-1.12
Rot. Bonds4

About 7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione

7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione (PubChem CID 5128003) has the molecular formula C13H21N7O2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione.

Molecular Properties

Compound Name7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione
PubChem CID5128003
Molecular FormulaC13H21N7O2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCNN
InChIInChI=1S/C13H21N7O2/c1-18-10-9(11(21)17-13(18)22)20(8-5-15-14)12(16-10)19-6-3-2-4-7-19/h15H,2-8,14H2,1H3,(H,17,21,22)
InChIKeyJOTUPEINRIGGTA-UHFFFAOYSA-N
XLogP-1.12
TPSA113.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 5-1.12
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'}

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Related Compounds

3-methyl-7-[2-[2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)ethoxy]ethyl]-8-piperidin-1-ylpurine-2,6-dione
CID 3920803
7-[2-(azepan-1-ium-1-yl)ethyl]-8-(azepan-1-yl)-3-methylpurine-2,6-dione
CID 6965336
3-methyl-7-[2-methyl-3-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)propyl]-8-piperidin-1-ylpurine-2,6-dione
CID 44967650
7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
CID 2988615
methyl 2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)acetate
CID 3505877
8-(azepan-1-yl)-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CID 741827
7-benzyl-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 679995
7-[(2R)-3-chloro-2-hydroxypropyl]-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 677803
8-(azepan-1-yl)-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 1050339
8-(azepan-1-yl)-7-[(2R)-3-chloro-2-hydroxypropyl]-3-methylpurine-2,6-dione
CID 1102620
7-[(4-fluorophenyl)methyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
CID 699814
3-methyl-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-8-piperidin-1-ylpurine-2,6-dione
CID 667409

Frequently Asked Questions

What is the IUPAC name of 7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione?
The IUPAC name of 7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione (CID 5128003) is 7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione.
What is the SMILES notation for 7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione?
The canonical SMILES for 7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione is Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCNN.
What is the InChIKey of 7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione?
The InChIKey is JOTUPEINRIGGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O2/c1-18-10-9(11(21)17-13(18)22)20(8-5-15-14)12(16-10)19-6-3-2-4-7-19/h15H,2-8,14H2,1H3,(H,17,21,22).
What are the key properties of 7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione?
7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione has a molecular weight of 307.36 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione is sourced from PubChem (CID 5128003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).