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N-(2-Methyl-4-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine

N-(2-Methyl-4-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine structure

CAS No:
796738-71-1
Formula:
C16H13N5O2
Chemical Name:
N-(2-Methyl-4-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine
Synonyms:
N-(2-Methyl-4-nitrophenyl)-4-(3-pyridyl)-2-pyriMidineaMine;2-PyriMidinaMine, N-(2-Methyl-4-nitrophenyl)-4-(3-pyridinyl)-;N-(2-Methyl-4-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine;N-(2-methyl-4-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine;Imatinib impurity 11/N-(2-Methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidine-amine;N-(2-Methyl-4-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine/Imatinib Impurity

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N-(2-Methyl-4-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine Basic Attributes

Molecular Weight：

307.31

Exact Mass：

307.10692467

DSSTox ID：

DTXSID00672241

Characteristics

PSA：

96.52000

XLogP3：

4.09500

Density：

1.344±0.06 g/cm3

Boiling Point：

560.7±60.0 °C(Predicted)

PKA：

2.66±0.12

N-(2-Methyl-4-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine Use and Manufacturing

Intermediate in the preparation of Imatinib impurities.

Computed Properties

Molecular Weight:307.31
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:307.10692467
Monoisotopic Mass:307.10692467
Topological Polar Surface Area:96.5
Heavy Atom Count:23
Complexity:402
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(2-Methyl-4-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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