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N-benzyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine

N-benzyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine structure

CAS No:
78552-52-0
Formula:
C21H26N8S
Chemical Name:
N-benzyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
Synonyms:
N-(phenylmethyl)-6-piperazin-1-yl-8-thiomorpholin-4-ylpyrimido[6,5-e]pyrimidin-4-amine; 8-Benzylamino-2-piperazino-4-thiomorpholino-pyrimido(5,4-d)pyrimidine; Pyrimido(5,4-d)pyrimidin-4-amine,N-(phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl); N-(Phenylmethyl)-6-(1-piperazinyl)-8-(4-thiomorpholinyl)pyrimido(5,4-d)pyrimidin-4-amine;

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N-benzyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine Basic Attributes

Molecular Weight：

422.55000

Exact Mass：

422.20011404

DSSTox ID：

DTXSID30229161

Characteristics

PSA：

110.63000

XLogP3：

1.87540

Density：

1.334g/cm3

Boiling Point：

689.1ºC at 760 mmHg

Flash Point：

370.5ºC

Refractive Index：

1.7

Computed Properties

Molecular Weight:422.6
XLogP3:2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:422.20011404
Monoisotopic Mass:422.20011404
Topological Polar Surface Area:107
Heavy Atom Count:30
Complexity:521
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-benzyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine

Basic Attributes
Characteristics
Computed Properties

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