6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C18H24ClN5O2Si — CID 153351965

IUPAC6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[Si](C)(C)CCOCn1c(Cl)cc2c(N)nc(OCc3ccncc3)nc21
InChIInChI=1S/C18H24ClN5O2Si/c1-27(2,3)9-8-25-12-24-15(19)10-14-16(20)22-18(23-17(14)24)26-11-13-4-6-21-7-5-13/h4-7,10H,8-9,11-12H2,1-3H3,(H2,20,22,23)
InChIKeyQGWRWKSHXAMDSH-UHFFFAOYSA-N
MW405.96 g/mol
LogP3.95
Rot. Bonds8

About 6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine

6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 153351965) has the molecular formula C18H24ClN5O2Si and a molecular weight of 405.96 g/mol. Its IUPAC name is 6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID153351965
Molecular FormulaC18H24ClN5O2Si
Molecular Weight405.96 g/mol
Exact Mass405.14
IUPAC Name6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[Si](C)(C)CCOCn1c(Cl)cc2c(N)nc(OCc3ccncc3)nc21
InChIInChI=1S/C18H24ClN5O2Si/c1-27(2,3)9-8-25-12-24-15(19)10-14-16(20)22-18(23-17(14)24)26-11-13-4-6-21-7-5-13/h4-7,10H,8-9,11-12H2,1-3H3,(H2,20,22,23)
InChIKeyQGWRWKSHXAMDSH-UHFFFAOYSA-N
XLogP3.95
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.96
LogP ≤ 53.95
H-Bond Donors ≤ 51
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

2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 140923779
[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
CID 140769621
2,7-dichloro-3-(2-trimethylsilylethoxymethyl)quinazolin-4-one
CID 156800676
2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 174596817
6-chloro-2-(3-chloropropyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 162354492
1-(3-bromopropyl)-6-(pyridin-4-ylmethoxy)pyrazolo[3,4-d]pyrimidin-4-amine
CID 153351961
6-(pyridin-4-ylmethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 146188039
2-[[4-chloro-2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162760836
2-[(2-chloropyrido[2,3-b]indol-9-yl)methoxy]ethyl-trimethylsilane
CID 164812062
4-methoxy-3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-amine
CID 169305279
3,5-dichloro-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
CID 86688715
13-chloro-8-(2-trimethylsilylethoxymethyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene-4-carbonitrile
CID 58266668

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 153351965) is 6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine is C[Si](C)(C)CCOCn1c(Cl)cc2c(N)nc(OCc3ccncc3)nc21.
What is the InChIKey of 6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QGWRWKSHXAMDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O2Si/c1-27(2,3)9-8-25-12-24-15(19)10-14-16(20)22-18(23-17(14)24)26-11-13-4-6-21-7-5-13/h4-7,10H,8-9,11-12H2,1-3H3,(H2,20,22,23).
What are the key properties of 6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 405.96 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(pyridin-4-ylmethoxy)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 153351965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).