1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine

C16H20N6O — CID 18440604

IUPAC1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine
SMILESCCn1cnc2c(NNCCc3ccc(OC)cc3)ncnc21
InChIInChI=1S/C16H20N6O/c1-3-22-11-19-14-15(17-10-18-16(14)22)21-20-9-8-12-4-6-13(23-2)7-5-12/h4-7,10-11,20H,3,8-9H2,1-2H3,(H,17,18,21)
InChIKeySAIBOHNNQZFZQO-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.01
Rot. Bonds7

About 1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine

1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine (PubChem CID 18440604) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine
PubChem CID18440604
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine
SMILESCCn1cnc2c(NNCCc3ccc(OC)cc3)ncnc21
InChIInChI=1S/C16H20N6O/c1-3-22-11-19-14-15(17-10-18-16(14)22)21-20-9-8-12-4-6-13(23-2)7-5-12/h4-7,10-11,20H,3,8-9H2,1-2H3,(H,17,18,21)
InChIKeySAIBOHNNQZFZQO-UHFFFAOYSA-N
XLogP2.01
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-N-methylpurin-6-amine
CID 23389288
9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine
CID 163348607
9-ethyl-N-[(4-fluorophenyl)methyl]purin-6-amine
CID 155980707
(1R)-1-(2,5-dimethoxyphenyl)-2-[(9-ethylpurin-6-yl)amino]ethanol
CID 100667164
N-[2-(4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174186
9-ethyl-N-[(2-fluorophenyl)methyl]purin-6-amine
CID 165433816
5-[2-(4-methoxyphenyl)ethyl]-11-[(4-methoxyphenyl)methyl]-3,5,7,9,11,13-hexazatricyclo[8.3.0.02,6]trideca-1(10),2,6,8,12-pentaen-4-one
CID 71523926
3-ethyl-N-[(4-methoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 7584420
N-[(1-ethylimidazol-2-yl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 46784377
N-(2,5-dimethoxyphenyl)sulfanyl-9-(3-phenylpropyl)purin-6-amine
CID 87617875
N-[3-(difluoromethoxy)phenyl]-9-ethylpurin-6-amine
CID 165433989
N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 57203375

Frequently Asked Questions

What is the IUPAC name of 1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of 1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine (CID 18440604) is 1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for 1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for 1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine is CCn1cnc2c(NNCCc3ccc(OC)cc3)ncnc21.
What is the InChIKey of 1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine?
The InChIKey is SAIBOHNNQZFZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-3-22-11-19-14-15(17-10-18-16(14)22)21-20-9-8-12-4-6-13(23-2)7-5-12/h4-7,10-11,20H,3,8-9H2,1-2H3,(H,17,18,21).
What are the key properties of 1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine?
1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine has a molecular weight of 312.38 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-ethylpurin-6-yl)-2-[2-(4-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 18440604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).