5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine

C24H26N6O — CID 54208528

IUPAC5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCCN2CCNCC2)cc1
InChIInChI=1S/C24H26N6O/c25-23-22-21(18-4-2-1-3-5-18)16-30(24(22)28-17-27-23)19-6-8-20(9-7-19)31-15-14-29-12-10-26-11-13-29/h1-9,16-17,26H,10-15H2,(H2,25,27,28)
InChIKeyPUGMCNSQKNYLSI-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.95
Rot. Bonds6

About 5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine

5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 54208528) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID54208528
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCCN2CCNCC2)cc1
InChIInChI=1S/C24H26N6O/c25-23-22-21(18-4-2-1-3-5-18)16-30(24(22)28-17-27-23)19-6-8-20(9-7-19)31-15-14-29-12-10-26-11-13-29/h1-9,16-17,26H,10-15H2,(H2,25,27,28)
InChIKeyPUGMCNSQKNYLSI-UHFFFAOYSA-N
XLogP2.95
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-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 5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 54208528) is 5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCCN2CCNCC2)cc1.
What is the InChIKey of 5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PUGMCNSQKNYLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c25-23-22-21(18-4-2-1-3-5-18)16-30(24(22)28-17-27-23)19-6-8-20(9-7-19)31-15-14-29-12-10-26-11-13-29/h1-9,16-17,26H,10-15H2,(H2,25,27,28).
What are the key properties of 5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine?
5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 414.51 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-[4-(2-piperazin-1-ylethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54208528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).