4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine

C34H46BCl3N10O4Si2 — CID 158153362

IUPAC4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(N)n2)cc2c(Cl)ccnc21.C[Si](C)(C)CCOCn1c(B(O)O)cc2c(Cl)ccnc21.Nc1nccc(Cl)n1
InChIInChI=1S/C17H22ClN5OSi.C13H20BClN2O3Si.C4H4ClN3/c1-25(2,3)9-8-24-11-23-15(14-5-7-21-17(19)22-14)10-12-13(18)4-6-20-16(12)23;1-21(2,3)7-6-20-9-17-12(14(18)19)8-10-11(15)4-5-16-13(10)17;5-3-1-2-7-4(6)8-3/h4-7,10H,8-9,11H2,1-3H3,(H2,19,21,22);4-5,8,18-19H,6-7,9H2,1-3H3;1-2H,(H2,6,7,8)
InChIKeyFVJUIOAHALKTAC-UHFFFAOYSA-N
MW832.15 g/mol
LogP6.44
Rot. Bonds12

About 4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine

4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine (PubChem CID 158153362) has the molecular formula C34H46BCl3N10O4Si2 and a molecular weight of 832.15 g/mol. Its IUPAC name is 4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine
PubChem CID158153362
Molecular FormulaC34H46BCl3N10O4Si2
Molecular Weight832.15 g/mol
Exact Mass830.24
IUPAC Name4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccnc(N)n2)cc2c(Cl)ccnc21.C[Si](C)(C)CCOCn1c(B(O)O)cc2c(Cl)ccnc21.Nc1nccc(Cl)n1
InChIInChI=1S/C17H22ClN5OSi.C13H20BClN2O3Si.C4H4ClN3/c1-25(2,3)9-8-24-11-23-15(14-5-7-21-17(19)22-14)10-12-13(18)4-6-20-16(12)23;1-21(2,3)7-6-20-9-17-12(14(18)19)8-10-11(15)4-5-16-13(10)17;5-3-1-2-7-4(6)8-3/h4-7,10H,8-9,11H2,1-3H3,(H2,19,21,22);4-5,8,18-19H,6-7,9H2,1-3H3;1-2H,(H2,6,7,8)
InChIKeyFVJUIOAHALKTAC-UHFFFAOYSA-N
XLogP6.44
TPSA198.16 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.15
LogP ≤ 56.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine with MolForge

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Related Compounds

2-[[4-Chloro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 142533724
2-[[4-Chloro-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[4-(4-methylpiperazin-1-yl)phenyl]boronic acid;trimethyl-[2-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-7-oxido-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-7-ium-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 160054595
N-[(3S)-1-[3-(3-fluoro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]piperidin-3-yl]-N-dimethylboronamidic acid
CID 165156724
2-[[2-Chloro-3-[7-chloro-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 174277449
2-[[2-chloro-3-[7-[(3R)-3-(2,3-dimethylbutan-2-yl)piperazin-1-yl]-4-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-5-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 174277450
(2R)-2-[(2S)-4-[6-[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]-7-fluoro-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-c]pyridin-4-yl]piperazin-2-yl]-3-methylbutan-2-ol
CID 175984018
4-Chloro-2-(pyridin-3-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine
CID 21081676
4-[4-Chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
CID 58395740
4-[4-Chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine
CID 58395842
2,4-dichloro-5-(pyridin-2-yl)-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidine
CID 86679650
6-(4-((1H-imidazol-1-yl)methyl)phenyl)-4-chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 131744715
4-(5-(4-chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)pyridin-2-yl)morpholine
CID 131744732

Frequently Asked Questions

What is the IUPAC name of 4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine (CID 158153362) is 4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine is C[Si](C)(C)CCOCn1c(-c2ccnc(N)n2)cc2c(Cl)ccnc21.C[Si](C)(C)CCOCn1c(B(O)O)cc2c(Cl)ccnc21.Nc1nccc(Cl)n1.
What is the InChIKey of 4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine?
The InChIKey is FVJUIOAHALKTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5OSi.C13H20BClN2O3Si.C4H4ClN3/c1-25(2,3)9-8-24-11-23-15(14-5-7-21-17(19)22-14)10-12-13(18)4-6-20-16(12)23;1-21(2,3)7-6-20-9-17-12(14(18)19)8-10-11(15)4-5-16-13(10)17;5-3-1-2-7-4(6)8-3/h4-7,10H,8-9,11H2,1-3H3,(H2,19,21,22);4-5,8,18-19H,6-7,9H2,1-3H3;1-2H,(H2,6,7,8).
What are the key properties of 4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine?
4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine has a molecular weight of 832.15 g/mol, XLogP of 6.44, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropyrimidin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 158153362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).