8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione

C16H17ClN6O2 — CID 3577710

IUPAC8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione
SMILESCCn1c(NN=Cc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H17ClN6O2/c1-4-23-12-13(21(2)16(25)22(3)14(12)24)19-15(23)20-18-9-10-7-5-6-8-11(10)17/h5-9H,4H2,1-3H3,(H,19,20)
InChIKeyKKNHPBHJPYRDTC-UHFFFAOYSA-N
MW360.81 g/mol
LogP1.55
Rot. Bonds4

About 8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione

8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione (PubChem CID 3577710) has the molecular formula C16H17ClN6O2 and a molecular weight of 360.81 g/mol. Its IUPAC name is 8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione
PubChem CID3577710
Molecular FormulaC16H17ClN6O2
Molecular Weight360.81 g/mol
Exact Mass360.11
IUPAC Name8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione
SMILESCCn1c(NN=Cc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H17ClN6O2/c1-4-23-12-13(21(2)16(25)22(3)14(12)24)19-15(23)20-18-9-10-7-5-6-8-11(10)17/h5-9H,4H2,1-3H3,(H,19,20)
InChIKeyKKNHPBHJPYRDTC-UHFFFAOYSA-N
XLogP1.55
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 51.55
H-Bond Donors ≤ 51
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

8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-1,3-dimethylpurine-2,6-dione
CID 3814081
7-benzyl-8-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
CID 136911299
7-[(2-chlorophenyl)methyl]-8-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
CID 136824001
7-ethyl-1,3-dimethyl-8-[2-[(4-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione
CID 1418199
7-ethyl-8-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
CID 3807859
8-[(2Z)-2-[(2-bromophenyl)methylidene]hydrazinyl]-1,3,7-trimethylpurine-2,6-dione
CID 5356669
8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione
CID 3554591
7-benzyl-8-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 25357959
7-[(4-chlorophenyl)methyl]-8-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
CID 3778925
8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3,7-dimethylpurine-2,6-dione
CID 4003251
3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 23625621
7-benzyl-8-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-dimethylpurine-2,6-dione
CID 136714361

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione (CID 3577710) is 8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione is CCn1c(NN=Cc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione?
The InChIKey is KKNHPBHJPYRDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O2/c1-4-23-12-13(21(2)16(25)22(3)14(12)24)19-15(23)20-18-9-10-7-5-6-8-11(10)17/h5-9H,4H2,1-3H3,(H,19,20).
What are the key properties of 8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione?
8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione has a molecular weight of 360.81 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-7-ethyl-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 3577710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).