3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol

C15H24Cl2N4O2Si — CID 166600427

IUPAC3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESC[Si](C)(C)CCOCn1cc(Cl)c2c(NCCCO)nc(Cl)nc21
InChIInChI=1S/C15H24Cl2N4O2Si/c1-24(2,3)8-7-23-10-21-9-11(16)12-13(18-5-4-6-22)19-15(17)20-14(12)21/h9,22H,4-8,10H2,1-3H3,(H,18,19,20)
InChIKeyUUKXSECEIHOJPC-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.84
Rot. Bonds9

About 3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol

3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 166600427) has the molecular formula C15H24Cl2N4O2Si and a molecular weight of 391.38 g/mol. Its IUPAC name is 3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
PubChem CID166600427
Molecular FormulaC15H24Cl2N4O2Si
Molecular Weight391.38 g/mol
Exact Mass390.10
IUPAC Name3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESC[Si](C)(C)CCOCn1cc(Cl)c2c(NCCCO)nc(Cl)nc21
InChIInChI=1S/C15H24Cl2N4O2Si/c1-24(2,3)8-7-23-10-21-9-11(16)12-13(18-5-4-6-22)19-15(17)20-14(12)21/h9,22H,4-8,10H2,1-3H3,(H,18,19,20)
InChIKeyUUKXSECEIHOJPC-UHFFFAOYSA-N
XLogP3.84
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2,5-dichloro-N-[3-[(6-chloro-3-nitro-2-pyridinyl)oxy]propyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 170590010
2,5-dichloro-N-[3-[3-methyl-4-nitro-1-(oxetan-3-yl)pyrazol-5-yl]oxypropyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 170590020
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621
2-chloro-5-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 133061792
2-chloro-4-(cyclopropylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 142416386
2-chloro-N-(2-methylsulfonylethyl)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 154698165
5-chloro-2-N-(1,3-dimethylpyrazol-4-yl)-4-N-methyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 164740944
tert-butyl (2S,4R)-4-[[5-bromo-2-chloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-2-methylpyrrolidine-1-carboxylate
CID 175796446
4-[2-chloro-4-cyclobutyloxy-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]-N-methylbenzamide
CID 86726454
2-[(2-chloro-4-cyclopentyloxy-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86726423
2-chloro-5-iodo-7-(2-trimethylsilylethoxymethyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 167542684
2-[(4-chloro-5-iodo-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86706959

Frequently Asked Questions

What is the IUPAC name of 3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol (CID 166600427) is 3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol is C[Si](C)(C)CCOCn1cc(Cl)c2c(NCCCO)nc(Cl)nc21.
What is the InChIKey of 3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is UUKXSECEIHOJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N4O2Si/c1-24(2,3)8-7-23-10-21-9-11(16)12-13(18-5-4-6-22)19-15(17)20-14(12)21/h9,22H,4-8,10H2,1-3H3,(H,18,19,20).
What are the key properties of 3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol?
3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 391.38 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,5-dichloro-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 166600427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).