N,8-dimethyl-5,9-dihydropurin-6-imine

C7H9N5 — CID 135754531

IUPACN,8-dimethyl-5,9-dihydropurin-6-imine
SMILESC/N=C1\N=CN=C2NC(C)=NC21
InChIInChI=1S/C7H9N5/c1-4-11-5-6(8-2)9-3-10-7(5)12-4/h3,5H,1-2H3,(H,8,9,10,11,12)
InChIKeyUCIWFBWNQWKOCU-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.15
Rot. Bonds

About N,8-dimethyl-5,9-dihydropurin-6-imine

N,8-dimethyl-5,9-dihydropurin-6-imine (PubChem CID 135754531) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is N,8-dimethyl-5,9-dihydropurin-6-imine.

Molecular Properties

Compound NameN,8-dimethyl-5,9-dihydropurin-6-imine
PubChem CID135754531
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC NameN,8-dimethyl-5,9-dihydropurin-6-imine
SMILESC/N=C1\N=CN=C2NC(C)=NC21
InChIInChI=1S/C7H9N5/c1-4-11-5-6(8-2)9-3-10-7(5)12-4/h3,5H,1-2H3,(H,8,9,10,11,12)
InChIKeyUCIWFBWNQWKOCU-UHFFFAOYSA-N
XLogP-0.15
TPSA61.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
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 N,8-dimethyl-5,9-dihydropurin-6-imine?
The IUPAC name of N,8-dimethyl-5,9-dihydropurin-6-imine (CID 135754531) is N,8-dimethyl-5,9-dihydropurin-6-imine.
What is the SMILES notation for N,8-dimethyl-5,9-dihydropurin-6-imine?
The canonical SMILES for N,8-dimethyl-5,9-dihydropurin-6-imine is C/N=C1\N=CN=C2NC(C)=NC21.
What is the InChIKey of N,8-dimethyl-5,9-dihydropurin-6-imine?
The InChIKey is UCIWFBWNQWKOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-4-11-5-6(8-2)9-3-10-7(5)12-4/h3,5H,1-2H3,(H,8,9,10,11,12).
What are the key properties of N,8-dimethyl-5,9-dihydropurin-6-imine?
N,8-dimethyl-5,9-dihydropurin-6-imine has a molecular weight of 163.18 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-5,9-dihydropurin-6-imine is sourced from PubChem (CID 135754531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).