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

C21H30N6O2Si — CID 164539155

IUPAC6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(N)cn2)cc2c(N3CCOCC3)ncnc21
InChIInChI=1S/C21H30N6O2Si/c1-30(2,3)11-10-29-15-27-19(18-5-4-16(22)13-23-18)12-17-20(24-14-25-21(17)27)26-6-8-28-9-7-26/h4-5,12-14H,6-11,15,22H2,1-3H3
InChIKeySOTKVOOXQLJLRW-UHFFFAOYSA-N
MW426.60 g/mol
LogP3.22
Rot. Bonds7

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

6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine (PubChem CID 164539155) has the molecular formula C21H30N6O2Si and a molecular weight of 426.60 g/mol. Its IUPAC name is 6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine
PubChem CID164539155
Molecular FormulaC21H30N6O2Si
Molecular Weight426.60 g/mol
Exact Mass426.22
IUPAC Name6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine
SMILESC[Si](C)(C)CCOCn1c(-c2ccc(N)cn2)cc2c(N3CCOCC3)ncnc21
InChIInChI=1S/C21H30N6O2Si/c1-30(2,3)11-10-29-15-27-19(18-5-4-16(22)13-23-18)12-17-20(24-14-25-21(17)27)26-6-8-28-9-7-26/h4-5,12-14H,6-11,15,22H2,1-3H3
InChIKeySOTKVOOXQLJLRW-UHFFFAOYSA-N
XLogP3.22
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 53.22
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

4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-N-[(1R)-2,2,2-trifluoro-1-piperidin-4-ylethyl]aniline
CID 172623752
4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]-N-(2,2,2-trifluoro-1-piperidin-4-ylethyl)aniline
CID 172623522
4-formyl-N-[4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]pyridine-2-sulfonamide
CID 164539191
N-[4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
CID 171431626
tert-butyl 4-[[5-[4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]anilino]pyrimidin-2-yl]methyl]piperazine-1-carboxylate
CID 172624072
tert-butyl 6-[[5-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]indazol-1-yl]methyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 176893245
tert-butyl N-[(3R)-1-[5-[4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]anilino]pyrazin-2-yl]piperidin-3-yl]carbamate
CID 172624063
tert-butyl 7-[[4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]carbamoyl]-2-azaspiro[3.5]nonane-2-carboxylate
CID 176549758
5-ethyl-4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-6-carbaldehyde
CID 123685712
2-[[3-(3-chlorophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 175867784
tert-butyl 4-[(3S)-3-[2,2,2-trifluoro-1-[4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]anilino]ethyl]pyrrolidin-1-yl]piperidine-1-carboxylate
CID 172624058
tert-butyl 3-[3-[[4-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]carbamoyl]pyrrolidin-1-yl]piperidine-1-carboxylate
CID 174225570

Frequently Asked Questions

What is the IUPAC name of 6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine?
The IUPAC name of 6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine (CID 164539155) is 6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine.
What is the SMILES notation for 6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine?
The canonical SMILES for 6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine is C[Si](C)(C)CCOCn1c(-c2ccc(N)cn2)cc2c(N3CCOCC3)ncnc21.
What is the InChIKey of 6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine?
The InChIKey is SOTKVOOXQLJLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2Si/c1-30(2,3)11-10-29-15-27-19(18-5-4-16(22)13-23-18)12-17-20(24-14-25-21(17)27)26-6-8-28-9-7-26/h4-5,12-14H,6-11,15,22H2,1-3H3.
What are the key properties of 6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine?
6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine has a molecular weight of 426.60 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-morpholin-4-yl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]pyridin-3-amine is sourced from PubChem (CID 164539155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).