N-(Trimethylsilyl)-2-[(trimethylsilyl)oxy]-4-pyrimidinamine

HCID 87420

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Basic information

CAS: 18037-10-0
Standard SMILES: C[Si](C)(C)Nc1ccnc(O[Si](C)(C)C)n1
InChIKey: IWEHUWMQLZFGLL-UHFFFAOYSA-N
Molecular formula: C10H21N3OSi2
Average molar mass: 255.46 g/mol
Monoisotopic mass: 255.12231535

Names & identifiers

Preferred name: N-(Trimethylsilyl)-2-[(trimethylsilyl)oxy]-4-pyrimidinamine
IUPAC: N-trimethylsilyl-2-trimethylsilyloxypyrimidin-4-amine
English name: N-(Trimethylsilyl)-2-[(trimethylsilyl)oxy]pyrimidin-4-amine
Molecular formula: C10H21N3OSi2
Molecular weight: 255.46

Names & synonyms

18037-10-0n-(trimethylsilyl)-2-[(trimethylsilyl)oxy]pyrimidin-4-amine4-Pyrimidinamine, N-(trimethylsilyl)-2-[(trimethylsilyl)oxy]-N-trimethylsilyl-2-trimethylsilyloxypyrimidin-4-amineO2,N4-Bis(trimethylsilyl)cytosine52FEX9LR9RN-(Trimethylsilyl)-2-[(trimethylsilyl)oxy]-4-pyrimidinamineEINECS 241-945-0N-(Trimethylsilyl)-2-((trimethylsilyl)oxy)pyrimidin-4-amine4-Pyrimidinamine, N-(trimethylsilyl)-2-((trimethylsilyl)oxy)-DTXSID30884794N-(Trimethylsilyl)-2-((trimethylsilyl)oxy)-4-pyrimidinamine

Show more names

Lamivudine Impurity 30Bis-(Trimethylsilyl) Cytosine (BSC)2,4-O,N-bis(trimethylsilyl)cytosine2-(Trimethylsiloxy)-4-(trimethylsilylamino)pyrimidineN-(Trimethylsilyl)-2-(trimethylsiloxy)pyrimidine-4-aminen-(trimethylsilyl)-2-[(trimethylsilyl)oxy]-4-pyrimidinamin

RefChem:828734DTXCID801024217241-945-0Bis(trimethylsilyl)cytosine2,4-Bis(trimethylsilyl)cytosineMFCD00047357Pyrimidine, 2-(trimethylsiloxy)-4-[(trimethylsilyl)amino]-C10H21N3OSi2

Database identifiers

CAS: 18037-10-0
PubChem CID: 87420
DTXSID: DTXSID30884794
UNII: 52FEX9LR9R
EC Number: 241-945-0
Nikkaji: J133.583I

Properties

Computed structural properties

Topological polar surface area: 47 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 122 °C · 122°C
Boiling point: 123 °C · 123 °C
Density: 0.994 · 0.994±0.06 g/cm3(Predicted)
Flash point: 65 °C · 65°C
pka: 4.96 · 4.96±0.10(Predicted)
Hydrolytic Sensitivity: 7 · 7: reacts slowly with moisture/water
CAS DataBase Reference: 18037 · 18037-10-0(CAS DataBase Reference)
FDA UNII: 52 FEX9LR9R · 52FEX9LR9R
NIST Chemistry Reference: 4 · 4-Pyrimidinamine, n-(trimethylsilyl)-2-[(trimethylsilyl)oxy]-(18037-10-0)
EPA Substance Registry System: 4 · 4-Pyrimidinamine, N-(trimethylsilyl)-2-[(trimethylsilyl)oxy]- (18037-10-0)
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (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 CategoriesEye Dam. 1 (100%)

Safety data

tsca: TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information4-Pyrimidinamine, N-(trimethylsilyl)-2-[(trimethylsilyl)oxy]-: ACTIVE

Applications

Uses2,4-Bis(trimethylsilyl)cytosine is an intermediate used in the synthesis of 1’-Epi Gemcitabine Hydrochloride (E588510), which is an α-Anomer of Gemcitabine.

Upstream & downstream products

Upstream raw materials

Downstream products

4-Amino-1-3,5-di-O-benzoyl-2-deoxy-2,2-difluoro-a-D-erythro-pentofuranosyl)-2(1H)-pyrimidinone 2',2'-Difluoro-2'-deoxycytidine-3',5'-dibenzoate

Suppliers41 total

湖北万得化工有限公司15377098680 15377098680 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

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Compound notes

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