9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine

C11H12IN7 — CID 66424729

IUPAC9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCCn1cc(I)cn1
InChIInChI=1S/C11H12IN7/c12-8-4-17-19(5-8)3-1-2-18-7-16-9-10(13)14-6-15-11(9)18/h4-7H,1-3H2,(H2,13,14,15)
InChIKeyFQERZNASJABYAC-UHFFFAOYSA-N
MW369.17 g/mol
LogP1.30
Rot. Bonds4

About 9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine

9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine (PubChem CID 66424729) has the molecular formula C11H12IN7 and a molecular weight of 369.17 g/mol. Its IUPAC name is 9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine
PubChem CID66424729
Molecular FormulaC11H12IN7
Molecular Weight369.17 g/mol
Exact Mass369.02
IUPAC Name9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine
SMILESNc1ncnc2c1ncn2CCCn1cc(I)cn1
InChIInChI=1S/C11H12IN7/c12-8-4-17-19(5-8)3-1-2-18-7-16-9-10(13)14-6-15-11(9)18/h4-7H,1-3H2,(H2,13,14,15)
InChIKeyFQERZNASJABYAC-UHFFFAOYSA-N
XLogP1.30
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

9-nonylpurin-6-amine
CID 3816519
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-pent-4-ynylpurin-6-amine
CID 91098853
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
4-[3-(6-aminopurin-9-yl)propyl]morpholine-3,5-dione
CID 66424528
9-[3-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propyl]purin-6-amine
CID 56780531
3-(6-aminopurin-9-yl)propane-1-sulfonic acid
CID 14056435
1-[3-(6-aminopurin-9-yl)propyl]pyrimidin-2-one
CID 66424327
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine?
The IUPAC name of 9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine (CID 66424729) is 9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine.
What is the SMILES notation for 9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine?
The canonical SMILES for 9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine is Nc1ncnc2c1ncn2CCCn1cc(I)cn1.
What is the InChIKey of 9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine?
The InChIKey is FQERZNASJABYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN7/c12-8-4-17-19(5-8)3-1-2-18-7-16-9-10(13)14-6-15-11(9)18/h4-7H,1-3H2,(H2,13,14,15).
What are the key properties of 9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine?
9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine has a molecular weight of 369.17 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-iodopyrazol-1-yl)propyl]purin-6-amine is sourced from PubChem (CID 66424729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).