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

C38H60N8O3Si2 — CID 161205509

IUPACcyclohexyl-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methanone;[cyclohexyl-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methylidene]hydrazine
SMILESC[Si](C)(C)CCOCn1ccc2c(C(=NN)C3CCCCC3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(C(=O)C3CCCCC3)ncnc21
InChIInChI=1S/C19H31N5OSi.C19H29N3O2Si/c1-26(2,3)12-11-25-14-24-10-9-16-18(21-13-22-19(16)24)17(23-20)15-7-5-4-6-8-15;1-25(2,3)12-11-24-14-22-10-9-16-17(20-13-21-19(16)22)18(23)15-7-5-4-6-8-15/h9-10,13,15H,4-8,11-12,14,20H2,1-3H3;9-10,13,15H,4-8,11-12,14H2,1-3H3
InChIKeyUVNTWJQOMJMGFX-UHFFFAOYSA-N
MW733.12 g/mol
LogP8.49
Rot. Bonds14

About 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

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 (PubChem CID 161205509) has the molecular formula C38H60N8O3Si2 and a molecular weight of 733.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecyclohexyl-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methanone;[cyclohexyl-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methylidene]hydrazine
PubChem CID161205509
Molecular FormulaC38H60N8O3Si2
Molecular Weight733.12 g/mol
Exact Mass732.43
IUPAC Namecyclohexyl-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methanone;[cyclohexyl-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methylidene]hydrazine
SMILESC[Si](C)(C)CCOCn1ccc2c(C(=NN)C3CCCCC3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(C(=O)C3CCCCC3)ncnc21
InChIInChI=1S/C19H31N5OSi.C19H29N3O2Si/c1-26(2,3)12-11-25-14-24-10-9-16-18(21-13-22-19(16)24)17(23-20)15-7-5-4-6-8-15;1-25(2,3)12-11-24-14-22-10-9-16-17(20-13-21-19(16)22)18(23)15-7-5-4-6-8-15/h9-10,13,15H,4-8,11-12,14,20H2,1-3H3;9-10,13,15H,4-8,11-12,14H2,1-3H3
InChIKeyUVNTWJQOMJMGFX-UHFFFAOYSA-N
XLogP8.49
TPSA135.33 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500733.12
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]methyl]cyclohexanamine
CID 141355610
[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-cyclopentylmethanone
CID 153450189
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
trimethyl-[2-[(4-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 141424330
ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5-azaspiro[2.5]octane-8-carboxylate
CID 142408656
(3R)-N-methyl-1-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 66765875
2-isocyano-N,N-dimethyl-2-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]ethenamine
CID 159253880
4-chloro-N'-cyclooctyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbohydrazide
CID 59292010
4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrrol-3-amine
CID 141450640
ethyl 4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxylate
CID 141450606
4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-5-carboxamide
CID 141450642
ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate
CID 164739909

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si](C)(C)CCOCn1ccc2c(C(=NN)C3CCCCC3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(C(=O)C3CCCCC3)ncnc21.
What is the InChIKey of 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?
The InChIKey is UVNTWJQOMJMGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5OSi.C19H29N3O2Si/c1-26(2,3)12-11-25-14-24-10-9-16-18(21-13-22-19(16)24)17(23-20)15-7-5-4-6-8-15;1-25(2,3)12-11-24-14-22-10-9-16-17(20-13-21-19(16)22)18(23)15-7-5-4-6-8-15/h9-10,13,15H,4-8,11-12,14,20H2,1-3H3;9-10,13,15H,4-8,11-12,14H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 733.12 g/mol, XLogP of 8.49, 14 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161205509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).