2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane

C51H81Cl2IN12O3Si3 — CID 158707483

IUPAC2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane
SMILESCC.CC.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)ncnc21.Cc1c[nH]c2ncnc(C)c12.Cc1cn(COCC[Si](C)(C)C)c2ncnc(C)c12.Cc1cn(COCC[Si](C)(C)C)c2ncnc(Cl)c12
InChIInChI=1S/C14H23N3OSi.C13H20ClN3OSi.C12H17ClIN3OSi.C8H9N3.2C2H6/c1-11-8-17(10-18-6-7-19(3,4)5)14-13(11)12(2)15-9-16-14;1-10-7-17(9-18-5-6-19(2,3)4)13-11(10)12(14)15-8-16-13;1-19(2,3)5-4-18-8-17-6-9(14)10-11(13)15-7-16-12(10)17;1-5-3-9-8-7(5)6(2)10-4-11-8;2*1-2/h8-9H,6-7,10H2,1-5H3;7-8H,5-6,9H2,1-4H3;6-7H,4-5,8H2,1-3H3;3-4H,1-2H3,(H,9,10,11);2*1-2H3
InChIKeyIIHJBNVJIWFAGZ-UHFFFAOYSA-N
MW1192.36 g/mol
LogP14.69
Rot. Bonds15

About 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane

2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane (PubChem CID 158707483) has the molecular formula C51H81Cl2IN12O3Si3 and a molecular weight of 1192.36 g/mol. Its IUPAC name is 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane.

Molecular Properties

Compound Name2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane
PubChem CID158707483
Molecular FormulaC51H81Cl2IN12O3Si3
Molecular Weight1192.36 g/mol
Exact Mass1190.43
IUPAC Name2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane
SMILESCC.CC.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)ncnc21.Cc1c[nH]c2ncnc(C)c12.Cc1cn(COCC[Si](C)(C)C)c2ncnc(C)c12.Cc1cn(COCC[Si](C)(C)C)c2ncnc(Cl)c12
InChIInChI=1S/C14H23N3OSi.C13H20ClN3OSi.C12H17ClIN3OSi.C8H9N3.2C2H6/c1-11-8-17(10-18-6-7-19(3,4)5)14-13(11)12(2)15-9-16-14;1-10-7-17(9-18-5-6-19(2,3)4)13-11(10)12(14)15-8-16-13;1-19(2,3)5-4-18-8-17-6-9(14)10-11(13)15-7-16-12(10)17;1-5-3-9-8-7(5)6(2)10-4-11-8;2*1-2/h8-9H,6-7,10H2,1-5H3;7-8H,5-6,9H2,1-4H3;6-7H,4-5,8H2,1-3H3;3-4H,1-2H3,(H,9,10,11);2*1-2H3
InChIKeyIIHJBNVJIWFAGZ-UHFFFAOYSA-N
XLogP14.69
TPSA161.39 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001192.36
LogP ≤ 514.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane with MolForge

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Related Compounds

6-chloro-N-methyl-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine;2-[(4,6-dichloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[[4,6-dichloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163425151
11-Chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;(2,6-dichloro-3-pyridinyl)boronic acid;3-(2,6-dichloro-3-pyridinyl)pyridin-4-amine;3-iodopyridin-4-amine
CID 157195509
4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
CID 157431047
chloro-di(propan-2-yl)-propan-2-ylsilane;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 157708213
(3aS,7aS)-2-benzyl-3a-methyl-3,4,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;2-[[4-[(3aR,7aS)-2-benzyl-3a-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-5-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 157931498
2-chloro-7-methyl-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidine;2-chloro-4-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine;2-[[2-chloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;[2,5-dichloro-4-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methanol;methane
CID 158142025
4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;ethane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 159050285
4-Pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene;trimethyl-[2-[(4-pyridin-3-yl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)methoxy]ethyl]silane
CID 159501322
4-chloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[[4-[1-(1-ethoxyethyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;methane;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
CID 160018014
2-[(11-chloro-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)methoxy]ethyl-trimethylsilane;N-(2-methoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine;N-(2-methoxyethyl)-5-(4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)pyrimidin-2-amine;N-(2-methoxyethyl)-5-[8-(2-trimethylsilylethoxymethyl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl]pyrimidin-2-amine
CID 160148423
2-[[2-Chloro-4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
CID 160960717
4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 161037933

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane?
The IUPAC name of 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane (CID 158707483) is 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane.
What is the SMILES notation for 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane?
The canonical SMILES for 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane is CC.CC.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)ncnc21.Cc1c[nH]c2ncnc(C)c12.Cc1cn(COCC[Si](C)(C)C)c2ncnc(C)c12.Cc1cn(COCC[Si](C)(C)C)c2ncnc(Cl)c12.
What is the InChIKey of 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane?
The InChIKey is IIHJBNVJIWFAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OSi.C13H20ClN3OSi.C12H17ClIN3OSi.C8H9N3.2C2H6/c1-11-8-17(10-18-6-7-19(3,4)5)14-13(11)12(2)15-9-16-14;1-10-7-17(9-18-5-6-19(2,3)4)13-11(10)12(14)15-8-16-13;1-19(2,3)5-4-18-8-17-6-9(14)10-11(13)15-7-16-12(10)17;1-5-3-9-8-7(5)6(2)10-4-11-8;2*1-2/h8-9H,6-7,10H2,1-5H3;7-8H,5-6,9H2,1-4H3;6-7H,4-5,8H2,1-3H3;3-4H,1-2H3,(H,9,10,11);2*1-2H3.
What are the key properties of 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane?
2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane has a molecular weight of 1192.36 g/mol, XLogP of 14.69, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-[(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4,5-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethane is sourced from PubChem (CID 158707483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).