4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine

C12H8ClN3 — CID 101367074

IUPAC4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2c1ccn2-c1ccccc1
InChIInChI=1S/C12H8ClN3/c13-11-10-6-7-16(12(10)15-8-14-11)9-4-2-1-3-5-9/h1-8H
InChIKeyQWECUUNLEUKHPG-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.07
Rot. Bonds1

About 4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine

4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine (PubChem CID 101367074) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine
PubChem CID101367074
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine
SMILESClc1ncnc2c1ccn2-c1ccccc1
InChIInChI=1S/C12H8ClN3/c13-11-10-6-7-16(12(10)15-8-14-11)9-4-2-1-3-5-9/h1-8H
InChIKeyQWECUUNLEUKHPG-UHFFFAOYSA-N
XLogP3.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-7-phenylpyrrolo[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 4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine (CID 101367074) is 4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine is Clc1ncnc2c1ccn2-c1ccccc1.
What is the InChIKey of 4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine?
The InChIKey is QWECUUNLEUKHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-11-10-6-7-16(12(10)15-8-14-11)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine?
4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine has a molecular weight of 229.67 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-phenylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 101367074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).