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N-benzyl-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine

N-benzyl-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine structure

CAS No:
109577-83-5
Formula:
C21H25ClN8
Chemical Name:
N-benzyl-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine
Synonyms:
7-Pteridinamine,6-chloro-N-(phenylmethyl)-2-(1-piperazinyl)-4-(1-pyrrolidinyl); 6-Chloro-N-(phenylmethyl)-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-7-pteridinamine; DC-TA-46; 7-Benzylamino-6-chloro-2-piperazino-4-pyrrolidinopteridine;

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N-benzyl-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine Basic Attributes

Molecular Weight：

424.93000

Exact Mass：

424.1890705 g/mol

DSSTox ID：

DTXSID90148985

HScode：

2933990090

Characteristics

PSA：

82.10000

XLogP3：

3.22690

Density：

1.364g/cm3

Boiling Point：

640.9ºC at 760mmHg

Flash Point：

341.4ºC

Refractive Index：

1.691

Vapor Pressure：

2.54E-16mmHg at 25°C

Drug Information

MeSH Entry Terms：

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

Computed Properties

Molecular Weight:424.9
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:424.1890705
Monoisotopic Mass:424.1890705
Topological Polar Surface Area:82.1
Heavy Atom Count:30
Complexity:535
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-benzyl-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine

Basic Attributes
Characteristics
Drug Information
Computed Properties

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