2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

C11H9ClN4 — CID 114740657

IUPAC2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESClc1ccc(-c2ncc3c(n2)CNC3)nc1
InChIInChI=1S/C11H9ClN4/c12-8-1-2-9(14-5-8)11-15-4-7-3-13-6-10(7)16-11/h1-2,4-5,13H,3,6H2
InChIKeyCKEYBZUIUNWFDL-UHFFFAOYSA-N
MW232.67 g/mol
LogP1.80
Rot. Bonds1

About 2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine

2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (PubChem CID 114740657) has the molecular formula C11H9ClN4 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
PubChem CID114740657
Molecular FormulaC11H9ClN4
Molecular Weight232.67 g/mol
Exact Mass232.05
IUPAC Name2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
SMILESClc1ccc(-c2ncc3c(n2)CNC3)nc1
InChIInChI=1S/C11H9ClN4/c12-8-1-2-9(14-5-8)11-15-4-7-3-13-6-10(7)16-11/h1-2,4-5,13H,3,6H2
InChIKeyCKEYBZUIUNWFDL-UHFFFAOYSA-N
XLogP1.80
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-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-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine (CID 114740657) is 2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is Clc1ccc(-c2ncc3c(n2)CNC3)nc1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
The InChIKey is CKEYBZUIUNWFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4/c12-8-1-2-9(14-5-8)11-15-4-7-3-13-6-10(7)16-11/h1-2,4-5,13H,3,6H2.
What are the key properties of 2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine?
2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine has a molecular weight of 232.67 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine is sourced from PubChem (CID 114740657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).