N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine

C19H32N4OSi — CID 141355610

IUPACN-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine
SMILESC[Si](C)(C)CCOCn1ccc2c(CNC3CCCCC3)ncnc21
InChIInChI=1S/C19H32N4OSi/c1-25(2,3)12-11-24-15-23-10-9-17-18(21-14-22-19(17)23)13-20-16-7-5-4-6-8-16/h9-10,14,16,20H,4-8,11-13,15H2,1-3H3
InChIKeyOOFQBRUDMBVMRM-UHFFFAOYSA-N
MW360.58 g/mol
LogP4.17
Rot. Bonds8

About N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine

N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine (PubChem CID 141355610) has the molecular formula C19H32N4OSi and a molecular weight of 360.58 g/mol. Its IUPAC name is N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine
PubChem CID141355610
Molecular FormulaC19H32N4OSi
Molecular Weight360.58 g/mol
Exact Mass360.23
IUPAC NameN-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine
SMILESC[Si](C)(C)CCOCn1ccc2c(CNC3CCCCC3)ncnc21
InChIInChI=1S/C19H32N4OSi/c1-25(2,3)12-11-24-15-23-10-9-17-18(21-14-22-19(17)23)13-20-16-7-5-4-6-8-16/h9-10,14,16,20H,4-8,11-13,15H2,1-3H3
InChIKeyOOFQBRUDMBVMRM-UHFFFAOYSA-N
XLogP4.17
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690
(3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 66765875
trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 141424330
cyclohexyl-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methanone;[cyclohexyl-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methylidene]hydrazine
CID 161205509
4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide
CID 59292010
13-cyclohexyl-11-methyl-5-(2-trimethylsilylethoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one
CID 90335875
4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine
CID 141450640
N-cyclohexyl-6-methyl-3-[5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]pyridin-2-amine
CID 58177295
trimethyl-[2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)ethyl]silane
CID 58172492
5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 162477897
4-[[4-[amino-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]aniline
CID 89411342

Frequently Asked Questions

What is the IUPAC name of N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine (CID 141355610) is N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine is C[Si](C)(C)CCOCn1ccc2c(CNC3CCCCC3)ncnc21.
What is the InChIKey of N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine?
The InChIKey is OOFQBRUDMBVMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OSi/c1-25(2,3)12-11-24-15-23-10-9-17-18(21-14-22-19(17)23)13-20-16-7-5-4-6-8-16/h9-10,14,16,20H,4-8,11-13,15H2,1-3H3.
What are the key properties of N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine?
N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine has a molecular weight of 360.58 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine is sourced from PubChem (CID 141355610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).