7-Benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine

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Basic information

CAS: 109577-83-5
Standard SMILES: Clc1nc2c(N3CCCC3)nc(N3CCNCC3)nc2nc1NCc1ccccc1
InChIKey: GEJPLNWGEJLXJN-UHFFFAOYSA-N
Molecular formula: C21H25ClN8
Average molar mass: 424.9 g/mol
Monoisotopic mass: 424.1890705

Overview

inibits growth of B16 melanoma & MCF-7 mammary carcinoma cells

Names & identifiers

Preferred name: 7-Benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine
IUPAC: N-benzyl-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
English name: 7-benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine
Molecular weight: 0

Names & synonyms

7-Benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine109577-83-5DTXSID90148985RefChem:105847DTXCID9071476CHEMBL1414877-benzylamino-6-chloro-2-piperazino-4-pyrrolidino-pteridineDC-TA-46N-benzyl-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amineSCHEMBL292710SCHEMBL29824397GEJPLNWGEJLXJN-UHFFFAOYSA-N

Show more names

BDBM50471928N-benzyl-6-chloro-2-(piperazin-1-yl)-4-(pyrrolidin-1-yl)pteridin-7-amine6-Chloro-N-(phenylmethyl)-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinamine7-Pteridinamine, 6-chloro-N-(phenylmethyl)-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-

Database identifiers

CAS: 109577-83-5
PubChem CID: 130604
DTXSID: DTXSID90148985
ChEMBL: CHEMBL141487
Nikkaji: J545.861G

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 82.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 535

Related reactions

1 records

New reaction record

HRID 2237402As reactantuspto-grants-2010_05

Compound notes

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