N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C19H28N6OSSi — CID 58395794

IUPACN,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCSc1nccc(-c2cn(COCC[Si](C)(C)C)c3ncnc(N(C)C)c23)n1
InChIInChI=1S/C19H28N6OSSi/c1-24(2)17-16-14(15-7-8-20-19(23-15)27-3)11-25(18(16)22-12-21-17)13-26-9-10-28(4,5)6/h7-8,11-12H,9-10,13H2,1-6H3
InChIKeyJFRUTBWMXJFRSS-UHFFFAOYSA-N
MW416.63 g/mol
LogP3.99
Rot. Bonds8

About N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine

N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 58395794) has the molecular formula C19H28N6OSSi and a molecular weight of 416.63 g/mol. Its IUPAC name is N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID58395794
Molecular FormulaC19H28N6OSSi
Molecular Weight416.63 g/mol
Exact Mass416.18
IUPAC NameN,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCSc1nccc(-c2cn(COCC[Si](C)(C)C)c3ncnc(N(C)C)c23)n1
InChIInChI=1S/C19H28N6OSSi/c1-24(2)17-16-14(15-7-8-20-19(23-15)27-3)11-25(18(16)22-12-21-17)13-26-9-10-28(4,5)6/h7-8,11-12H,9-10,13H2,1-6H3
InChIKeyJFRUTBWMXJFRSS-UHFFFAOYSA-N
XLogP3.99
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.63
LogP ≤ 53.99
H-Bond Donors ≤ 50
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

[3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
CID 86706962
trimethyl-[2-[(4-methylsulfanyl-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 146169588
3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58395989
2-[(4-chloro-3-ethylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 67502225
4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
CID 152679074
trimethyl-[2-[(3-phenyl-4-pyrrol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 146169697
N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 58395851
6-[4-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]quinolin-3-ol
CID 172562690
2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 165156384
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
trimethyl-[2-(pyrrolo[2,3-d]pyrimidin-7-ylmethoxy)ethyl]silane
CID 58172492
4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol
CID 137199432

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 58395794) is N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine is CSc1nccc(-c2cn(COCC[Si](C)(C)C)c3ncnc(N(C)C)c23)n1.
What is the InChIKey of N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JFRUTBWMXJFRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OSSi/c1-24(2)17-16-14(15-7-8-20-19(23-15)27-3)11-25(18(16)22-12-21-17)13-26-9-10-28(4,5)6/h7-8,11-12H,9-10,13H2,1-6H3.
What are the key properties of N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 416.63 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-(2-methylsulfanylpyrimidin-4-yl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 58395794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).