8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione

C16H18N6O3 — CID 4978924

IUPAC8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione
SMILESCCCn1c(NN=Cc2cccc(O)c2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C16H18N6O3/c1-3-7-22-12-13(21(2)16(25)19-14(12)24)18-15(22)20-17-9-10-5-4-6-11(23)8-10/h4-6,8-9,23H,3,7H2,1-2H3,(H,18,20)(H,19,24,25)
InChIKeyIQGMHRXGHCDQOE-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.98
Rot. Bonds5

About 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione

8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione (PubChem CID 4978924) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione.

Molecular Properties

Compound Name8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione
PubChem CID4978924
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione
SMILESCCCn1c(NN=Cc2cccc(O)c2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C16H18N6O3/c1-3-7-22-12-13(21(2)16(25)19-14(12)24)18-15(22)20-17-9-10-5-4-6-11(23)8-10/h4-6,8-9,23H,3,7H2,1-2H3,(H,18,20)(H,19,24,25)
InChIKeyIQGMHRXGHCDQOE-UHFFFAOYSA-N
XLogP0.98
TPSA117.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

7-ethyl-8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 5054210
8-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione
CID 135630531
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-benzylidenehydrazinyl)-3-methyl-7-pentylpurine-2,6-dione
CID 3097628
8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione
CID 5149414
7-butyl-3-methyl-8-[2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
CID 3102119
7-decyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
CID 98130185
8-[(2E)-2-[(3-methoxyphenyl)methylidene]hydrazinyl]-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione
CID 91901277
7-ethyl-8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
CID 3807859
8-(2-benzylidenehydrazinyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CID 3811766
7-heptyl-8-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 44724431

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione?
The IUPAC name of 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione (CID 4978924) is 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione.
What is the SMILES notation for 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione?
The canonical SMILES for 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione is CCCn1c(NN=Cc2cccc(O)c2)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione?
The InChIKey is IQGMHRXGHCDQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-3-7-22-12-13(21(2)16(25)19-14(12)24)18-15(22)20-17-9-10-5-4-6-11(23)8-10/h4-6,8-9,23H,3,7H2,1-2H3,(H,18,20)(H,19,24,25).
What are the key properties of 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione?
8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione has a molecular weight of 342.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-3-methyl-7-propylpurine-2,6-dione is sourced from PubChem (CID 4978924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).