5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde

C19H30N4O3Si — CID 123685712

IUPAC5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
SMILESCCc1c(C=O)n(COCC[Si](C)(C)C)c2ncnc(N3CCOCC3)c12
InChIInChI=1S/C19H30N4O3Si/c1-5-15-16(12-24)23(14-26-10-11-27(2,3)4)19-17(15)18(20-13-21-19)22-6-8-25-9-7-22/h12-13H,5-11,14H2,1-4H3
InChIKeyMHCPWNFZIACJRZ-UHFFFAOYSA-N
MW390.56 g/mol
LogP2.96
Rot. Bonds8

About 5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde

5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde (PubChem CID 123685712) has the molecular formula C19H30N4O3Si and a molecular weight of 390.56 g/mol. Its IUPAC name is 5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
PubChem CID123685712
Molecular FormulaC19H30N4O3Si
Molecular Weight390.56 g/mol
Exact Mass390.21
IUPAC Name5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
SMILESCCc1c(C=O)n(COCC[Si](C)(C)C)c2ncnc(N3CCOCC3)c12
InChIInChI=1S/C19H30N4O3Si/c1-5-15-16(12-24)23(14-26-10-11-27(2,3)4)19-17(15)18(20-13-21-19)22-6-8-25-9-7-22/h12-13H,5-11,14H2,1-4H3
InChIKeyMHCPWNFZIACJRZ-UHFFFAOYSA-N
XLogP2.96
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine
CID 164539155
4-formyl-N-[4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide
CID 164539191
2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 175867784
trimethyl-[2-[(2-morpholin-4-ylbenzimidazol-1-yl)methoxy]ethyl]silane
CID 156708125
N-[4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
CID 171431626
4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)aniline
CID 172623522
4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-N-[(1R)-2,2,2-trifluoro-1-piperidin-4-ylethyl]aniline
CID 172623752
4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 152679074
1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carbaldehyde
CID 140830721
tert-butyl 4-[[5-[4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]anilino]pyrimidin-2-yl]methyl]piperazine-1-carboxylate
CID 172624072
tert-butyl 7-[[4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]carbamoyl]-2-azaspiro[3.5]nonane-2-carboxylate
CID 176549758
5-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 131747900

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde?
The IUPAC name of 5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde (CID 123685712) is 5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde?
The canonical SMILES for 5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde is CCc1c(C=O)n(COCC[Si](C)(C)C)c2ncnc(N3CCOCC3)c12.
What is the InChIKey of 5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde?
The InChIKey is MHCPWNFZIACJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3Si/c1-5-15-16(12-24)23(14-26-10-11-27(2,3)4)19-17(15)18(20-13-21-19)22-6-8-25-9-7-22/h12-13H,5-11,14H2,1-4H3.
What are the key properties of 5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde?
5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde has a molecular weight of 390.56 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 123685712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).