8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine

C10H14IN5 — CID 134972549

IUPAC8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine
SMILESCC(C)N(C)c1ncnc2c1nc(I)n2C
InChIInChI=1S/C10H14IN5/c1-6(2)15(3)8-7-9(13-5-12-8)16(4)10(11)14-7/h5-6H,1-4H3
InChIKeyJORVKCZHJJGUFP-UHFFFAOYSA-N
MW331.16 g/mol
LogP1.81
Rot. Bonds2

About 8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine

8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine (PubChem CID 134972549) has the molecular formula C10H14IN5 and a molecular weight of 331.16 g/mol. Its IUPAC name is 8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine.

Molecular Properties

Compound Name8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine
PubChem CID134972549
Molecular FormulaC10H14IN5
Molecular Weight331.16 g/mol
Exact Mass331.03
IUPAC Name8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine
SMILESCC(C)N(C)c1ncnc2c1nc(I)n2C
InChIInChI=1S/C10H14IN5/c1-6(2)15(3)8-7-9(13-5-12-8)16(4)10(11)14-7/h5-6H,1-4H3
InChIKeyJORVKCZHJJGUFP-UHFFFAOYSA-N
XLogP1.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine?
The IUPAC name of 8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine (CID 134972549) is 8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine.
What is the SMILES notation for 8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine?
The canonical SMILES for 8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine is CC(C)N(C)c1ncnc2c1nc(I)n2C.
What is the InChIKey of 8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine?
The InChIKey is JORVKCZHJJGUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN5/c1-6(2)15(3)8-7-9(13-5-12-8)16(4)10(11)14-7/h5-6H,1-4H3.
What are the key properties of 8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine?
8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine has a molecular weight of 331.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-N,9-dimethyl-N-propan-2-ylpurin-6-amine is sourced from PubChem (CID 134972549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).