2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C12H10ClFN4 — CID 117101449

IUPAC2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESFc1ccccc1Nc1nc(Cl)nc2c1CNC2
InChIInChI=1S/C12H10ClFN4/c13-12-17-10-6-15-5-7(10)11(18-12)16-9-4-2-1-3-8(9)14/h1-4,15H,5-6H2,(H,16,17,18)
InChIKeyPVWZPLFYBUMHPO-UHFFFAOYSA-N
MW264.69 g/mol
LogP2.62
Rot. Bonds2

About 2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 117101449) has the molecular formula C12H10ClFN4 and a molecular weight of 264.69 g/mol. Its IUPAC name is 2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID117101449
Molecular FormulaC12H10ClFN4
Molecular Weight264.69 g/mol
Exact Mass264.06
IUPAC Name2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESFc1ccccc1Nc1nc(Cl)nc2c1CNC2
InChIInChI=1S/C12H10ClFN4/c13-12-17-10-6-15-5-7(10)11(18-12)16-9-4-2-1-3-8(9)14/h1-4,15H,5-6H2,(H,16,17,18)
InChIKeyPVWZPLFYBUMHPO-UHFFFAOYSA-N
XLogP2.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine 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-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 117101449) is 2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is Fc1ccccc1Nc1nc(Cl)nc2c1CNC2.
What is the InChIKey of 2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is PVWZPLFYBUMHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN4/c13-12-17-10-6-15-5-7(10)11(18-12)16-9-4-2-1-3-8(9)14/h1-4,15H,5-6H2,(H,16,17,18).
What are the key properties of 2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 264.69 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 117101449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).