2,9-dimethyl-1,4-dihydropurin-6-amine

C7H11N5 — CID 121285719

IUPAC2,9-dimethyl-1,4-dihydropurin-6-amine
SMILESCC1=NC2C(=C(N)N1)N=CN2C
InChIInChI=1S/C7H11N5/c1-4-10-6(8)5-7(11-4)12(2)3-9-5/h3,7H,8H2,1-2H3,(H,10,11)
InChIKeyKNDAXMGLBRXEKC-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.56
Rot. Bonds

About 2,9-dimethyl-1,4-dihydropurin-6-amine

2,9-dimethyl-1,4-dihydropurin-6-amine (PubChem CID 121285719) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 2,9-dimethyl-1,4-dihydropurin-6-amine.

Molecular Properties

Compound Name2,9-dimethyl-1,4-dihydropurin-6-amine
PubChem CID121285719
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name2,9-dimethyl-1,4-dihydropurin-6-amine
SMILESCC1=NC2C(=C(N)N1)N=CN2C
InChIInChI=1S/C7H11N5/c1-4-10-6(8)5-7(11-4)12(2)3-9-5/h3,7H,8H2,1-2H3,(H,10,11)
InChIKeyKNDAXMGLBRXEKC-UHFFFAOYSA-N
XLogP-0.56
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,9-dimethyl-1,4-dihydropurin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-1,4-dihydropurin-6-amine?
The IUPAC name of 2,9-dimethyl-1,4-dihydropurin-6-amine (CID 121285719) is 2,9-dimethyl-1,4-dihydropurin-6-amine.
What is the SMILES notation for 2,9-dimethyl-1,4-dihydropurin-6-amine?
The canonical SMILES for 2,9-dimethyl-1,4-dihydropurin-6-amine is CC1=NC2C(=C(N)N1)N=CN2C.
What is the InChIKey of 2,9-dimethyl-1,4-dihydropurin-6-amine?
The InChIKey is KNDAXMGLBRXEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-4-10-6(8)5-7(11-4)12(2)3-9-5/h3,7H,8H2,1-2H3,(H,10,11).
What are the key properties of 2,9-dimethyl-1,4-dihydropurin-6-amine?
2,9-dimethyl-1,4-dihydropurin-6-amine has a molecular weight of 165.20 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-1,4-dihydropurin-6-amine is sourced from PubChem (CID 121285719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).