2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine

C22H30ClN4O2PSi — CID 156755773

IUPAC2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC=Cc1ccc(P(C)(C)=O)c(Nc2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C22H30ClN4O2PSi/c1-7-16-8-9-19(30(2,3)28)18(14-16)24-20-17-10-11-27(21(17)26-22(23)25-20)15-29-12-13-31(4,5)6/h7-11,14H,1,12-13,15H2,2-6H3,(H,24,25,26)
InChIKeyGLPIMDCDLCOFPS-UHFFFAOYSA-N
MW477.02 g/mol
LogP6.03
Rot. Bonds9

About 2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 156755773) has the molecular formula C22H30ClN4O2PSi and a molecular weight of 477.02 g/mol. Its IUPAC name is 2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID156755773
Molecular FormulaC22H30ClN4O2PSi
Molecular Weight477.02 g/mol
Exact Mass476.16
IUPAC Name2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC=Cc1ccc(P(C)(C)=O)c(Nc2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)c1
InChIInChI=1S/C22H30ClN4O2PSi/c1-7-16-8-9-19(30(2,3)28)18(14-16)24-20-17-10-11-27(21(17)26-22(23)25-20)15-29-12-13-31(4,5)6/h7-11,14H,1,12-13,15H2,2-6H3,(H,24,25,26)
InChIKeyGLPIMDCDLCOFPS-UHFFFAOYSA-N
XLogP6.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.02
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-4-ethenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 87223684
2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 154698165
4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methyl-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 172541470
4-N-(2-dimethylphosphorylphenyl)-2-N-[5-ethyl-2-methoxy-4-(4-piperazin-1-ylpiperidin-1-yl)phenyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 172541327
N-[3-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 90096094
6-chloro-N-(oxan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 154698326
2-[[6-chloro-4-(2,4,6-trichlorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 101395266
tert-butyl 4-[1-[4-[[4-(2-dimethylphosphorylanilino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-ethyl-5-(2-hydroxypropan-2-yl)phenyl]piperidin-4-yl]piperazine-1-carboxylate
CID 172541270
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 86676739
4-[2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxy-1-methylcyclohexan-1-ol
CID 175993151
4-N-[4-(1-bicyclo[1.1.1]pentanylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine
CID 165147668
4-[6-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxybenzonitrile
CID 101395267

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 156755773) is 2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine is C=Cc1ccc(P(C)(C)=O)c(Nc2nc(Cl)nc3c2ccn3COCC[Si](C)(C)C)c1.
What is the InChIKey of 2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GLPIMDCDLCOFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN4O2PSi/c1-7-16-8-9-19(30(2,3)28)18(14-16)24-20-17-10-11-27(21(17)26-22(23)25-20)15-29-12-13-31(4,5)6/h7-11,14H,1,12-13,15H2,2-6H3,(H,24,25,26).
What are the key properties of 2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 477.02 g/mol, XLogP of 6.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-dimethylphosphoryl-5-ethenylphenyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 156755773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).