2,7-dimethylpyrrolo[2,3-d]pyrimidine

C8H9N3 — CID 20720868

IUPAC2,7-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1ncc2ccn(C)c2n1
InChIInChI=1S/C8H9N3/c1-6-9-5-7-3-4-11(2)8(7)10-6/h3-5H,1-2H3
InChIKeyCAPLIPOGPNGOGJ-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.28
Rot. Bonds

About 2,7-dimethylpyrrolo[2,3-d]pyrimidine

2,7-dimethylpyrrolo[2,3-d]pyrimidine (PubChem CID 20720868) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 2,7-dimethylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,7-dimethylpyrrolo[2,3-d]pyrimidine
PubChem CID20720868
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name2,7-dimethylpyrrolo[2,3-d]pyrimidine
SMILESCc1ncc2ccn(C)c2n1
InChIInChI=1S/C8H9N3/c1-6-9-5-7-3-4-11(2)8(7)10-6/h3-5H,1-2H3
InChIKeyCAPLIPOGPNGOGJ-UHFFFAOYSA-N
XLogP1.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,7-dimethylpyrrolo[2,3-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 2,7-dimethylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2,7-dimethylpyrrolo[2,3-d]pyrimidine (CID 20720868) is 2,7-dimethylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2,7-dimethylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2,7-dimethylpyrrolo[2,3-d]pyrimidine is Cc1ncc2ccn(C)c2n1.
What is the InChIKey of 2,7-dimethylpyrrolo[2,3-d]pyrimidine?
The InChIKey is CAPLIPOGPNGOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-6-9-5-7-3-4-11(2)8(7)10-6/h3-5H,1-2H3.
What are the key properties of 2,7-dimethylpyrrolo[2,3-d]pyrimidine?
2,7-dimethylpyrrolo[2,3-d]pyrimidine has a molecular weight of 147.18 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 20720868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).