4-(7H-purin-6-yl)piperazine-1-carbaldehyde

C10H12N6O — CID 118720796

IUPAC4-(7H-purin-6-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C10H12N6O/c17-7-15-1-3-16(4-2-15)10-8-9(12-5-11-8)13-6-14-10/h5-7H,1-4H2,(H,11,12,13,14)
InChIKeyAEWPITKBDMWUIN-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.37
Rot. Bonds2

About 4-(7H-purin-6-yl)piperazine-1-carbaldehyde

4-(7H-purin-6-yl)piperazine-1-carbaldehyde (PubChem CID 118720796) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 4-(7H-purin-6-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(7H-purin-6-yl)piperazine-1-carbaldehyde
PubChem CID118720796
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name4-(7H-purin-6-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C10H12N6O/c17-7-15-1-3-16(4-2-15)10-8-9(12-5-11-8)13-6-14-10/h5-7H,1-4H2,(H,11,12,13,14)
InChIKeyAEWPITKBDMWUIN-UHFFFAOYSA-N
XLogP-0.37
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
6-(1,4-diazepan-1-yl)-7H-purine
CID 3702788
6-(2-azaspiro[3.3]heptan-2-yl)-7H-purine
CID 166304856
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 134697631
2-methyl-2-[4-(7H-purin-6-yl)piperazin-1-yl]propanenitrile
CID 63343521
2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one
CID 163352034
cyclopropyl-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]methanone
CID 133499116
6-(4-benzyl-1,4-diazepan-1-yl)-7H-purine
CID 44776748
5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine
CID 43252544
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 72859199

Frequently Asked Questions

What is the IUPAC name of 4-(7H-purin-6-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(7H-purin-6-yl)piperazine-1-carbaldehyde (CID 118720796) is 4-(7H-purin-6-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(7H-purin-6-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(7H-purin-6-yl)piperazine-1-carbaldehyde is O=CN1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 4-(7H-purin-6-yl)piperazine-1-carbaldehyde?
The InChIKey is AEWPITKBDMWUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c17-7-15-1-3-16(4-2-15)10-8-9(12-5-11-8)13-6-14-10/h5-7H,1-4H2,(H,11,12,13,14).
What are the key properties of 4-(7H-purin-6-yl)piperazine-1-carbaldehyde?
4-(7H-purin-6-yl)piperazine-1-carbaldehyde has a molecular weight of 232.25 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7H-purin-6-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 118720796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).