N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C17H12BrN5 — CID 11405903

IUPACN-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESBrc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C17H12BrN5/c18-13-5-1-2-6-14(13)21-17-20-11-12-8-10-23(16(12)22-17)15-7-3-4-9-19-15/h1-11H,(H,20,21,22)
InChIKeyXCSIZNVMVBVSHP-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.32
Rot. Bonds3

About N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11405903) has the molecular formula C17H12BrN5 and a molecular weight of 366.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11405903
Molecular FormulaC17H12BrN5
Molecular Weight366.22 g/mol
Exact Mass365.03
IUPAC NameN-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESBrc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C17H12BrN5/c18-13-5-1-2-6-14(13)21-17-20-11-12-8-10-23(16(12)22-17)15-7-3-4-9-19-15/h1-11H,(H,20,21,22)
InChIKeyXCSIZNVMVBVSHP-UHFFFAOYSA-N
XLogP4.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-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 N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 11405903) is N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is Brc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.
What is the InChIKey of N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is XCSIZNVMVBVSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5/c18-13-5-1-2-6-14(13)21-17-20-11-12-8-10-23(16(12)22-17)15-7-3-4-9-19-15/h1-11H,(H,20,21,22).
What are the key properties of N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 366.22 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11405903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).