8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione

C15H16N6O2 — CID 5149414

IUPAC8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione
SMILESCCn1c(NN=Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C15H16N6O2/c1-3-21-11-12(20(2)15(23)18-13(11)22)17-14(21)19-16-9-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,17,19)(H,18,22,23)
InChIKeyIQCHTNKDENNBPW-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.89
Rot. Bonds4

About 8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione

8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione (PubChem CID 5149414) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione
PubChem CID5149414
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione
SMILESCCn1c(NN=Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C15H16N6O2/c1-3-21-11-12(20(2)15(23)18-13(11)22)17-14(21)19-16-9-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,17,19)(H,18,22,23)
InChIKeyIQCHTNKDENNBPW-UHFFFAOYSA-N
XLogP0.89
TPSA97.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-(2-benzylidenehydrazinyl)-3-methyl-7-pentylpurine-2,6-dione
CID 3097628
7-ethyl-8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 5054210
8-(2-benzylidenehydrazinyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CID 3811766
8-(2-benzylidenehydrazinyl)-7-(3-chlorobut-2-enyl)-3-methylpurine-2,6-dione
CID 3104108
8-(2-benzylidenehydrazinyl)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 171133682
7-benzyl-8-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 3370192
3-methyl-8-[2-[(4-methylphenyl)methylidene]hydrazinyl]-7-propylpurine-2,6-dione
CID 3792261
8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione
CID 18206259
8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione
CID 4978924
8-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
CID 5066688
8-[(2Z)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-[(2S)-2-hydroxy-2-phenylethyl]-3-methylpurine-2,6-dione
CID 129375354
8-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione
CID 135630531

Frequently Asked Questions

What is the IUPAC name of 8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione?
The IUPAC name of 8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione (CID 5149414) is 8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione.
What is the SMILES notation for 8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione?
The canonical SMILES for 8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione is CCn1c(NN=Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione?
The InChIKey is IQCHTNKDENNBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-3-21-11-12(20(2)15(23)18-13(11)22)17-14(21)19-16-9-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,17,19)(H,18,22,23).
What are the key properties of 8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione?
8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione has a molecular weight of 312.33 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione is sourced from PubChem (CID 5149414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).