2-methoxy-N,3-dimethyl-7H-purin-6-imine

C8H11N5O — CID 137177510

IUPAC2-methoxy-N,3-dimethyl-7H-purin-6-imine
SMILESC/N=c1\nc(OC)n(C)c2nc[nH]c12
InChIInChI=1S/C8H11N5O/c1-9-6-5-7(11-4-10-5)13(2)8(12-6)14-3/h4H,1-3H3,(H,10,11)/b9-6-
InChIKeySVOGFVDPRARZKC-TWGQIWQCSA-N
MW193.21 g/mol
LogP-0.16
Rot. Bonds1

About 2-methoxy-N,3-dimethyl-7H-purin-6-imine

2-methoxy-N,3-dimethyl-7H-purin-6-imine (PubChem CID 137177510) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-methoxy-N,3-dimethyl-7H-purin-6-imine.

Molecular Properties

Compound Name2-methoxy-N,3-dimethyl-7H-purin-6-imine
PubChem CID137177510
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-methoxy-N,3-dimethyl-7H-purin-6-imine
SMILESC/N=c1\nc(OC)n(C)c2nc[nH]c12
InChIInChI=1S/C8H11N5O/c1-9-6-5-7(11-4-10-5)13(2)8(12-6)14-3/h4H,1-3H3,(H,10,11)/b9-6-
InChIKeySVOGFVDPRARZKC-TWGQIWQCSA-N
XLogP-0.16
TPSA68.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N,3-dimethyl-7H-purin-6-imine 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-methoxy-N,3-dimethyl-7H-purin-6-imine?
The IUPAC name of 2-methoxy-N,3-dimethyl-7H-purin-6-imine (CID 137177510) is 2-methoxy-N,3-dimethyl-7H-purin-6-imine.
What is the SMILES notation for 2-methoxy-N,3-dimethyl-7H-purin-6-imine?
The canonical SMILES for 2-methoxy-N,3-dimethyl-7H-purin-6-imine is C/N=c1\nc(OC)n(C)c2nc[nH]c12.
What is the InChIKey of 2-methoxy-N,3-dimethyl-7H-purin-6-imine?
The InChIKey is SVOGFVDPRARZKC-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H11N5O/c1-9-6-5-7(11-4-10-5)13(2)8(12-6)14-3/h4H,1-3H3,(H,10,11)/b9-6-.
What are the key properties of 2-methoxy-N,3-dimethyl-7H-purin-6-imine?
2-methoxy-N,3-dimethyl-7H-purin-6-imine has a molecular weight of 193.21 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,3-dimethyl-7H-purin-6-imine is sourced from PubChem (CID 137177510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).