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Molecule
N-(Trimethylsilyl)-2-[(Trimethylsilyl)Oxy]-4-Pyrimidinamine
CAS: 18037-10-0 · C10H21N3OSi2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 18037-10-0
- Molecular Formula
- C10H21N3OSi2
- Molecular Mass
- 255.47 g/mol
Identifiers
CAS Registry Number
18037-10-0
SMILES
C[Si](C)(C)Nc1ccnc(O[Si](C)(C)C)n1
InChI Key
IWEHUWMQLZFGLL-UHFFFAOYSA-N
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)
Names and Synonyms
- N-(Trimethylsilyl)-2-[(Trimethylsilyl)Oxy]-4-Pyrimidinamine Synonym
- 4-Pyrimidinamine, N-(trimethylsilyl)-2-[(trimethylsilyl)oxy]- Synonym
- Pyrimidine, 2-(trimethylsiloxy)-4-[(trimethylsilyl)amino]- Synonym
- N-(Trimethylsilyl)-2-[(trimethylsilyl)oxy]-4-pyrimidinamine Synonym
- 2,4-Bis(trimethylsilyl)cytosine Synonym
- O,N-Bis(trimethylsilyl)cytosine Synonym
- 1,1,1-Trimethyl-N-[2-[(trimethylsilyl)oxy]pyrimidin-4-yl]silanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.47 g/mol | CAS Common Chemistry |
| 255.46999999999994 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(=NC1O[Si](C)(C)C)N[Si](C)(C)C | CAS Common Chemistry |
| 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) | CAS Common Chemistry |
| InChI Key | InChIKey=IWEHUWMQLZFGLL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-(Trimethylsilyl)-2-[(trimethylsilyl)oxy]-4-pyrimidinamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 47.040000000000006 Ų | RDKit |
| 47.04 Ų | RDKit | |
| 45.98 Ų | chempirical lib | |
| LogP | 2.937100000000001 | RDKit |
| 2.9371 | RDKit | |
| Molar Refractivity | 72.97470000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 255.122315352 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 255.47 g/mol. Edit any field — others recompute live.
