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Ethyl 4-[[(2,4-diamino-5-pyrimidinyl)methylene]amino]benzoate

Ethyl 4-[[(2,4-diamino-5-pyrimidinyl)methylene]amino]benzoate structure

CAS No:
20781-07-1
Formula:
C14H15N5O2
Chemical Name:
Ethyl 4-[[(2,4-diamino-5-pyrimidinyl)methylene]amino]benzoate
Synonyms:
Benzoic acid,4-[[(2,4-diamino-5-pyrimidinyl)methylene]amino]-,ethyl ester;Benzoic acid,p-[[(2,4-diamino-5-pyrimidinyl)methylene]amino]-,ethyl ester;Ethyl 4-[[(2,4-diamino-5-pyrimidinyl)methylene]amino]benzoate;NSC 111560

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Ethyl 4-[[(2,4-diamino-5-pyrimidinyl)methylene]amino]benzoate Basic Attributes

Molecular Weight：

285.30 g/mol

Exact Mass：

285.30

NSC Number：

111560

DSSTox ID：

DTXSID10296790

Characteristics

PSA：

117 Å²

Computed Properties

Molecular Weight:285.30
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:285.12257474
Monoisotopic Mass:285.12257474
Topological Polar Surface Area:117
Heavy Atom Count:21
Complexity:368
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 4-[[(2,4-diamino-5-pyrimidinyl)methylene]amino]benzoate

Basic Attributes
Characteristics
Computed Properties
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