9-methyl-4,5-dihydro-1H-purin-6-imine

C6H9N5 — CID 176527559

IUPAC9-methyl-4,5-dihydro-1H-purin-6-imine
SMILES[H]/N=C1\NC=NC2C1N=CN2C
InChIInChI=1S/C6H9N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-4,6H,1H3,(H2,7,8,9)
InChIKeyJTHAQTIBTQDFQS-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.74
Rot. Bonds

About 9-methyl-4,5-dihydro-1H-purin-6-imine

9-methyl-4,5-dihydro-1H-purin-6-imine (PubChem CID 176527559) has the molecular formula C6H9N5 and a molecular weight of 151.17 g/mol. Its IUPAC name is 9-methyl-4,5-dihydro-1H-purin-6-imine.

Molecular Properties

Compound Name9-methyl-4,5-dihydro-1H-purin-6-imine
PubChem CID176527559
Molecular FormulaC6H9N5
Molecular Weight151.17 g/mol
Exact Mass151.09
IUPAC Name9-methyl-4,5-dihydro-1H-purin-6-imine
SMILES[H]/N=C1\NC=NC2C1N=CN2C
InChIInChI=1S/C6H9N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-4,6H,1H3,(H2,7,8,9)
InChIKeyJTHAQTIBTQDFQS-UHFFFAOYSA-N
XLogP-0.74
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-4,5-dihydro-1H-purin-6-imine?
The IUPAC name of 9-methyl-4,5-dihydro-1H-purin-6-imine (CID 176527559) is 9-methyl-4,5-dihydro-1H-purin-6-imine.
What is the SMILES notation for 9-methyl-4,5-dihydro-1H-purin-6-imine?
The canonical SMILES for 9-methyl-4,5-dihydro-1H-purin-6-imine is [H]/N=C1\NC=NC2C1N=CN2C.
What is the InChIKey of 9-methyl-4,5-dihydro-1H-purin-6-imine?
The InChIKey is JTHAQTIBTQDFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-4,6H,1H3,(H2,7,8,9).
What are the key properties of 9-methyl-4,5-dihydro-1H-purin-6-imine?
9-methyl-4,5-dihydro-1H-purin-6-imine has a molecular weight of 151.17 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-4,5-dihydro-1H-purin-6-imine is sourced from PubChem (CID 176527559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).