2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine

C13H14IN7 — CID 10385996

IUPAC2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine
SMILESCn1cnc2c(NCc3cccc(I)c3)nc(NN)nc21
InChIInChI=1S/C13H14IN7/c1-21-7-17-10-11(18-13(20-15)19-12(10)21)16-6-8-3-2-4-9(14)5-8/h2-5,7H,6,15H2,1H3,(H2,16,18,19,20)
InChIKeyKCIGXTVZJWKYGS-UHFFFAOYSA-N
MW395.21 g/mol
LogP1.87
Rot. Bonds4

About 2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine

2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine (PubChem CID 10385996) has the molecular formula C13H14IN7 and a molecular weight of 395.21 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine
PubChem CID10385996
Molecular FormulaC13H14IN7
Molecular Weight395.21 g/mol
Exact Mass395.04
IUPAC Name2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine
SMILESCn1cnc2c(NCc3cccc(I)c3)nc(NN)nc21
InChIInChI=1S/C13H14IN7/c1-21-7-17-10-11(18-13(20-15)19-12(10)21)16-6-8-3-2-4-9(14)5-8/h2-5,7H,6,15H2,1H3,(H2,16,18,19,20)
InChIKeyKCIGXTVZJWKYGS-UHFFFAOYSA-N
XLogP1.87
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Benzylaminopurine
CID 62389
Roscovitine
CID 160355
Olomoucine
CID 4592
9-(2-phenylethyl)-9H-purin-6-amine
CID 309375
2-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
CID 5097
N-(2-phenylethyl)-9H-purin-6-amine
CID 756669
2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine
CID 3543
Bohemine
CID 2422
N6-Benzyl-9H-purine-2,6-diamine
CID 16409607
9-(Phenylmethyl)-9H-purin-6-amine
CID 20262
2-((6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl)amino)ethan-1-ol
CID 6610355
9-Isopropyl-N-[3-(trifluoromethyl)benzyl]-9H-purin-6-amine
CID 49830252

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine?
The IUPAC name of 2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine (CID 10385996) is 2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine.
What is the SMILES notation for 2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine?
The canonical SMILES for 2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine is Cn1cnc2c(NCc3cccc(I)c3)nc(NN)nc21.
What is the InChIKey of 2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine?
The InChIKey is KCIGXTVZJWKYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN7/c1-21-7-17-10-11(18-13(20-15)19-12(10)21)16-6-8-3-2-4-9(14)5-8/h2-5,7H,6,15H2,1H3,(H2,16,18,19,20).
What are the key properties of 2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine?
2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine has a molecular weight of 395.21 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(3-iodophenyl)methyl]-9-methylpurin-6-amine is sourced from PubChem (CID 10385996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).