Basic information
- CAS
152460-09-8- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2cccnc2)n1- InChIKey
OJITWRFPRCHSMX-UHFFFAOYSA-N- Molecular formula
- C16H13N5O2
- Average molar mass
- 307.31 g/mol
- Monoisotopic mass
- 307.10692466
Names & identifiers
- Preferred name
- 2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidine
- IUPAC
- N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine
- English name
- N-(2-Methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine
- Molecular formula
- C16H13N5O2
- Molecular weight
- 307.31
Names & synonyms
2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidineRefChem:454178604-858-2152460-09-8N-(2-methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amineN-(2-Methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amineN-(2-Methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidine-amineImatinib Impurity 14MFCD021792692-Pyrimidinamine, N-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)-CHEMBL204262-Methyl-5-nitro-N-[4-(pyridin-3-yl)pyrimidin-2-yl]benzenamine
Show more names
Ima baseNitro imatinibImatinib-int DImatinib impurities16IMatinib Related CoMpoundImatinib 5-nitro genotoxic impurity(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidineN-(2-Methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyriMidN-(2-methyl-5-nitrophenyl)-4-(3-pyridyl) -2-pyrimidine
N-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidinaminen-(2-methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidineamineOJITWRFPRCHSMX-UHFFFAOYSA-NSCHEMBL155048PDW22YGSSCHEMBL13597737SCHEMBL29364396DTXSID50443544
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Melting point
- 188 · 188-193°C
- Boiling point
- 546.6 · 546.6±60.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Chloroform
- form
- Solid
- pka
- 2.68 · 2.68±0.12(Predicted)
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2933399990 · 2933399990
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesN-(2-Methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidine-amine (cas# 152460-09-8) is a compound useful in organic synthesis.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd21-33585366 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Related reactions
31 records
Compound notes
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