2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

C95H111Cl5F2N22O6Si4 — CID 160531650

IUPAC2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Oc3ccccc3)nc(Cl)nc21.Cc1cccc(-c2nc(Nc3ccncc3F)c3ccn(COCC[Si](C)(C)C)c3n2)n1.Cc1cccc(-c2nc(Oc3ccccc3)c3ccn(COCC[Si](C)(C)C)c3n2)n1.Cc1cccc(C)n1.Clc1nc(Cl)c2cc[nH]c2n1.Nc1ccncc1F
InChIInChI=1S/C24H28N4O2Si.C23H27FN6OSi.C18H22ClN3O2Si.C12H17Cl2N3OSi.C7H9N.C6H3Cl2N3.C5H5FN2/c1-18-9-8-12-21(25-18)22-26-23-20(24(27-22)30-19-10-6-5-7-11-19)13-14-28(23)17-29-15-16-31(2,3)4;1-16-6-5-7-20(26-16)22-28-21(27-19-8-10-25-14-18(19)24)17-9-11-30(23(17)29-22)15-31-12-13-32(2,3)4;1-25(2,3)12-11-23-13-22-10-9-15-16(22)20-18(19)21-17(15)24-14-7-5-4-6-8-14;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;1-6-4-3-5-7(2)8-6;7-4-3-1-2-9-5(3)11-6(8)10-4;6-4-3-8-2-1-5(4)7/h5-14H,15-17H2,1-4H3;5-11,14H,12-13,15H2,1-4H3,(H,25,27,28,29);4-10H,11-13H2,1-3H3;4-5H,6-8H2,1-3H3;3-5H,1-2H3;1-2H,(H,9,10,11);1-3H,(H2,7,8)
InChIKeyQVPUXFVANHTDKN-UHFFFAOYSA-N
MW1984.69 g/mol
LogP25.30
Rot. Bonds28

About 2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (PubChem CID 160531650) has the molecular formula C95H111Cl5F2N22O6Si4 and a molecular weight of 1984.69 g/mol. Its IUPAC name is 2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Name2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
PubChem CID160531650
Molecular FormulaC95H111Cl5F2N22O6Si4
Molecular Weight1984.69 g/mol
Exact Mass1980.65
IUPAC Name2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Oc3ccccc3)nc(Cl)nc21.Cc1cccc(-c2nc(Nc3ccncc3F)c3ccn(COCC[Si](C)(C)C)c3n2)n1.Cc1cccc(-c2nc(Oc3ccccc3)c3ccn(COCC[Si](C)(C)C)c3n2)n1.Cc1cccc(C)n1.Clc1nc(Cl)c2cc[nH]c2n1.Nc1ccncc1F
InChIInChI=1S/C24H28N4O2Si.C23H27FN6OSi.C18H22ClN3O2Si.C12H17Cl2N3OSi.C7H9N.C6H3Cl2N3.C5H5FN2/c1-18-9-8-12-21(25-18)22-26-23-20(24(27-22)30-19-10-6-5-7-11-19)13-14-28(23)17-29-15-16-31(2,3)4;1-16-6-5-7-20(26-16)22-28-21(27-19-8-10-25-14-18(19)24)17-9-11-30(23(17)29-22)15-31-12-13-32(2,3)4;1-25(2,3)12-11-23-13-22-10-9-15-16(22)20-18(19)21-17(15)24-14-7-5-4-6-8-14;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;1-6-4-3-5-7(2)8-6;7-4-3-1-2-9-5(3)11-6(8)10-4;6-4-3-8-2-1-5(4)7/h5-14H,15-17H2,1-4H3;5-11,14H,12-13,15H2,1-4H3,(H,25,27,28,29);4-10H,11-13H2,1-3H3;4-5H,6-8H2,1-3H3;3-5H,1-2H3;1-2H,(H,9,10,11);1-3H,(H2,7,8)
InChIKeyQVPUXFVANHTDKN-UHFFFAOYSA-N
XLogP25.30
TPSA322.29 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001984.69
LogP ≤ 525.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?
The IUPAC name of 2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (CID 160531650) is 2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.
What is the SMILES notation for 2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?
The canonical SMILES for 2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Oc3ccccc3)nc(Cl)nc21.Cc1cccc(-c2nc(Nc3ccncc3F)c3ccn(COCC[Si](C)(C)C)c3n2)n1.Cc1cccc(-c2nc(Oc3ccccc3)c3ccn(COCC[Si](C)(C)C)c3n2)n1.Cc1cccc(C)n1.Clc1nc(Cl)c2cc[nH]c2n1.Nc1ccncc1F.
What is the InChIKey of 2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?
The InChIKey is QVPUXFVANHTDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2Si.C23H27FN6OSi.C18H22ClN3O2Si.C12H17Cl2N3OSi.C7H9N.C6H3Cl2N3.C5H5FN2/c1-18-9-8-12-21(25-18)22-26-23-20(24(27-22)30-19-10-6-5-7-11-19)13-14-28(23)17-29-15-16-31(2,3)4;1-16-6-5-7-20(26-16)22-28-21(27-19-8-10-25-14-18(19)24)17-9-11-30(23(17)29-22)15-31-12-13-32(2,3)4;1-25(2,3)12-11-23-13-22-10-9-15-16(22)20-18(19)21-17(15)24-14-7-5-4-6-8-14;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;1-6-4-3-5-7(2)8-6;7-4-3-1-2-9-5(3)11-6(8)10-4;6-4-3-8-2-1-5(4)7/h5-14H,15-17H2,1-4H3;5-11,14H,12-13,15H2,1-4H3,(H,25,27,28,29);4-10H,11-13H2,1-3H3;4-5H,6-8H2,1-3H3;3-5H,1-2H3;1-2H,(H,9,10,11);1-3H,(H2,7,8).
What are the key properties of 2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?
2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane has a molecular weight of 1984.69 g/mol, XLogP of 25.30, 28 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2,6-dimethylpyridine;3-fluoropyridin-4-amine;N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine;trimethyl-[2-[[2-(6-methyl-2-pyridinyl)-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is sourced from PubChem (CID 160531650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).