CAS No.18037-10-0,N-(Trimethylsilyl)-2-[(trimethylsilyl)oxy]pyrimidin-4-amine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18037-10-0
Name:	N-(Trimethylsilyl)-2-[(trimethylsilyl)oxy]pyrimidin-4-amine
Article Data:	50

Formula:	C₁₀H₂₁N₃OSi₂
Molecular Weight:	255.467
Synonyms:	Pyrimidine,2-(trimethylsiloxy)-4-[(trimethylsilyl)amino]- (7CI,8CI);2,4-Bis(trimethylsilyl)cytosine;O,N-Bis(trimethylsilyl)cytosine;
EINECS:	241-945-0
Density:	0.994 g/cm³
Melting Point:	122 °C
Boiling Point:	300.4 °C at 760 mmHg
Flash Point:	135.5 °C
Appearance:	withe powder
PSA:	47.04000
LogP:	3.01010

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Specification

The IUPAC name of N-(Trimethylsilyl)-2-[(trimethylsilyl)oxy]pyrimidin-4-amine is N-trimethylsilyl-2-trimethylsilyloxypyrimidin-4-amine. With the CAS registry number 18037-10-0, it is also named as Bis(trimethylsilyl)cytosine. In addition, it is white powder. Its molecular formula is C₁₀H₂₁N₃OSi₂ and molecular weight is 255.46.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.01 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.99 ; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.01; (6)ACD/BCF (pH 7.4): 19.73; (7)ACD/KOC (pH 5.5): 283.46; (8)ACD/KOC (pH 7.4): 294.22; (9)H bond acceptors: 4; (10)H bond donors: 1; (11)Freely Rotating Bonds: 3; (12)Index of Refraction: 1.493 ; (13) Molar Refractivity: 74.68 cm³; (14)Molar Volume: 256.8 cm³; (15)Surface Tension: 27.5 dyne/cm; (16)Density: 0.994 g/cm³; (17)Flash Point: 135.5 °C; (18)Melting Point：122 °C; (19)Enthalpy of Vaporization: 54.05 kJ/mol; (20)Boiling Point: 300.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00112 mmHg at 25 °C.

Uses of N-(Trimethylsilyl)-2-[(trimethylsilyl)oxy]pyrimidin-4-amine: it can react with 1,3-dichloro-2-(1-chloro-ethoxy)-propane to give 1-(5-chloro-4-chloromethyl-3-oxapent-2-yl)cytosine.

This reaction needs reagent CH₂Cl₂at ambient temperature. The yield is 82 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:O(c1nc(ccn1)N[Si](C)(C)C)[Si](C)(C)
(2)InChI:InChI=1/C10H21N3OSi2/c1-15(2,3)13-9-7-8-11-10(12-9)14-16(4,5)6/h7-8H,1-6H3,(H,11,12,13)
(3)InChIKey:IWEHUWMQLZFGLL-UHFFFAOYAV
(4)Std. InChI:InChI=1S/C10H21N3OSi2/c1-15(2,3)13-9-7-8-11-10(12-9)14-16(4,5)6/h7-8H,1-6H3,(H,11,12,13)
(5)Std. InChIKey:IWEHUWMQLZFGLL-UHFFFAOYSA-N