3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine

C20H29N5O3Si — CID 163251023

IUPAC3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine
SMILESCOc1nc(C)nc(OC)c1-c1cn(COCC[Si](C)(C)C)c2nc(N)ccc12
InChIInChI=1S/C20H29N5O3Si/c1-13-22-19(26-2)17(20(23-13)27-3)15-11-25(12-28-9-10-29(4,5)6)18-14(15)7-8-16(21)24-18/h7-8,11H,9-10,12H2,1-6H3,(H2,21,24)
InChIKeyOMULQJAQHHCOPC-UHFFFAOYSA-N
MW415.57 g/mol
LogP3.71
Rot. Bonds8

About 3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine

3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 163251023) has the molecular formula C20H29N5O3Si and a molecular weight of 415.57 g/mol. Its IUPAC name is 3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine
PubChem CID163251023
Molecular FormulaC20H29N5O3Si
Molecular Weight415.57 g/mol
Exact Mass415.20
IUPAC Name3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine
SMILESCOc1nc(C)nc(OC)c1-c1cn(COCC[Si](C)(C)C)c2nc(N)ccc12
InChIInChI=1S/C20H29N5O3Si/c1-13-22-19(26-2)17(20(23-13)27-3)15-11-25(12-28-9-10-29(4,5)6)18-14(15)7-8-16(21)24-18/h7-8,11H,9-10,12H2,1-6H3,(H2,21,24)
InChIKeyOMULQJAQHHCOPC-UHFFFAOYSA-N
XLogP3.71
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

2-[[6-chloro-3-(5-fluoro-2-methoxy-4-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163250787
3-(6-methoxy-1,3-benzothiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine
CID 163251080
2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163251302
2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163250691
methyl 3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-6-carboxylate
CID 162383246
2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163251444
methyl 2-[[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamoyl]cyclopropane-1-carboxylate
CID 174055588
N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 174055725
cis-(1S,2S)-N-[3-(4-ethoxy-5-fluoro-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
CID 163251006
N-[3-(2,6-dimethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluoro-3-(hydroxymethyl)cyclopropane-1-carboxamide
CID 174055627
cis-(1R,2R)-N-[3-(4-cyclobutyloxy-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-formylcyclopropane-1-carboxamide
CID 163251103
N-[3-(2,6-dimethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-5-azaspiro[2.3]hexane-2-carboxamide
CID 163251486

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine (CID 163251023) is 3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine is COc1nc(C)nc(OC)c1-c1cn(COCC[Si](C)(C)C)c2nc(N)ccc12.
What is the InChIKey of 3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is OMULQJAQHHCOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3Si/c1-13-22-19(26-2)17(20(23-13)27-3)15-11-25(12-28-9-10-29(4,5)6)18-14(15)7-8-16(21)24-18/h7-8,11H,9-10,12H2,1-6H3,(H2,21,24).
What are the key properties of 3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine?
3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 415.57 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 163251023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).