5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine

C9H13N3 — CID 21300207

IUPAC5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine
SMILESCN1CC(C)(C)c2ncncc21
InChIInChI=1S/C9H13N3/c1-9(2)5-12(3)7-4-10-6-11-8(7)9/h4,6H,5H2,1-3H3
InChIKeyQCJKNGAQTWUMJI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.20
Rot. Bonds

About 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine

5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine (PubChem CID 21300207) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine
PubChem CID21300207
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine
SMILESCN1CC(C)(C)c2ncncc21
InChIInChI=1S/C9H13N3/c1-9(2)5-12(3)7-4-10-6-11-8(7)9/h4,6H,5H2,1-3H3
InChIKeyQCJKNGAQTWUMJI-UHFFFAOYSA-N
XLogP1.20
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,7,7-trimethyl-6H-pyrrolo[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 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine (CID 21300207) is 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine is CN1CC(C)(C)c2ncncc21.
What is the InChIKey of 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is QCJKNGAQTWUMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-9(2)5-12(3)7-4-10-6-11-8(7)9/h4,6H,5H2,1-3H3.
What are the key properties of 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine?
5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 163.22 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,7-trimethyl-6H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 21300207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).