2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine

C8H9N3O — CID 137400076

IUPAC2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine
SMILESCOc1ncc2c(ccn2C)n1
InChIInChI=1S/C8H9N3O/c1-11-4-3-6-7(11)5-9-8(10-6)12-2/h3-5H,1-2H3
InChIKeyARHWQEQZKXAWFX-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.98
Rot. Bonds1

About 2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine

2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine (PubChem CID 137400076) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine
PubChem CID137400076
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine
SMILESCOc1ncc2c(ccn2C)n1
InChIInChI=1S/C8H9N3O/c1-11-4-3-6-7(11)5-9-8(10-6)12-2/h3-5H,1-2H3
InChIKeyARHWQEQZKXAWFX-UHFFFAOYSA-N
XLogP0.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine 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-5-methylpyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine (CID 137400076) is 2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine is COc1ncc2c(ccn2C)n1.
What is the InChIKey of 2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine?
The InChIKey is ARHWQEQZKXAWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-11-4-3-6-7(11)5-9-8(10-6)12-2/h3-5H,1-2H3.
What are the key properties of 2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine?
2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine has a molecular weight of 163.18 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methylpyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 137400076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).