2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

C21H28ClN5O2Si — CID 131744732

IUPAC2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(N3CCOCC3)nc2)cc2c(Cl)ncnc21
InChIInChI=1S/C21H28ClN5O2Si/c1-30(2,3)11-10-29-15-27-18(12-17-20(22)24-14-25-21(17)27)16-4-5-19(23-13-16)26-6-8-28-9-7-26/h4-5,12-14H,6-11,15H2,1-3H3
InChIKeyHASVRFNPYARGBY-UHFFFAOYSA-N
MW446.03 g/mol
LogP4.30
Rot. Bonds7

About 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 131744732) has the molecular formula C21H28ClN5O2Si and a molecular weight of 446.03 g/mol. Its IUPAC name is 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
PubChem CID131744732
Molecular FormulaC21H28ClN5O2Si
Molecular Weight446.03 g/mol
Exact Mass445.17
IUPAC Name2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(N3CCOCC3)nc2)cc2c(Cl)ncnc21
InChIInChI=1S/C21H28ClN5O2Si/c1-30(2,3)11-10-29-15-27-18(12-17-20(22)24-14-25-21(17)27)16-4-5-19(23-13-16)26-6-8-28-9-7-26/h4-5,12-14H,6-11,15H2,1-3H3
InChIKeyHASVRFNPYARGBY-UHFFFAOYSA-N
XLogP4.30
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.03
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

6-(4-morpholinobenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444218
5-(3-Chloro-phenyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44381673
6-(4-morpholinobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444201
4-[2-Methyl-3-(6-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67413428
4-[2-Methyl-3-[6-(2-methylpropyl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67415193
4-[3-(6-Ethyl-3-pyridinyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67425321
4-[2-Methyl-3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 67425876
4-[[7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]morpholine
CID 90286529
7-(3-chlorophenyl)-N-(2-methoxyethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 2151141
6-Chloro-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 4637244
4-[[13-Chloro-6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]methyl]morpholine
CID 11226516
13-Chloro-6-[4-[2-(3,4-difluorophenyl)ethyl]piperazin-1-yl]-4-(methoxymethyl)-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 11443156

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 131744732) is 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccc(N3CCOCC3)nc2)cc2c(Cl)ncnc21.
What is the InChIKey of 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HASVRFNPYARGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O2Si/c1-30(2,3)11-10-29-15-27-18(12-17-20(22)24-14-25-21(17)27)16-4-5-19(23-13-16)26-6-8-28-9-7-26/h4-5,12-14H,6-11,15H2,1-3H3.
What are the key properties of 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 446.03 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(6-morpholin-4-yl-3-pyridinyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 131744732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).