[3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol

C21H30N4O2Si — CID 86706962

IUPAC[3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
SMILESCN(C)c1ncnc2c1c(-c1cccc(CO)c1)cn2COCC[Si](C)(C)C
InChIInChI=1S/C21H30N4O2Si/c1-24(2)20-19-18(17-8-6-7-16(11-17)13-26)12-25(21(19)23-14-22-20)15-27-9-10-28(3,4)5/h6-8,11-12,14,26H,9-10,13,15H2,1-5H3
InChIKeyCFMUBXRVBJVJIO-UHFFFAOYSA-N
MW398.58 g/mol
LogP3.97
Rot. Bonds8

About [3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol

[3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol (PubChem CID 86706962) has the molecular formula C21H30N4O2Si and a molecular weight of 398.58 g/mol. Its IUPAC name is [3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
PubChem CID86706962
Molecular FormulaC21H30N4O2Si
Molecular Weight398.58 g/mol
Exact Mass398.21
IUPAC Name[3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
SMILESCN(C)c1ncnc2c1c(-c1cccc(CO)c1)cn2COCC[Si](C)(C)C
InChIInChI=1S/C21H30N4O2Si/c1-24(2)20-19-18(17-8-6-7-16(11-17)13-26)12-25(21(19)23-14-22-20)15-27-9-10-28(3,4)5/h6-8,11-12,14,26H,9-10,13,15H2,1-5H3
InChIKeyCFMUBXRVBJVJIO-UHFFFAOYSA-N
XLogP3.97
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 53.97
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'}

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol?
The IUPAC name of [3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol (CID 86706962) is [3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol.
What is the SMILES notation for [3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol?
The canonical SMILES for [3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol is CN(C)c1ncnc2c1c(-c1cccc(CO)c1)cn2COCC[Si](C)(C)C.
What is the InChIKey of [3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol?
The InChIKey is CFMUBXRVBJVJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2Si/c1-24(2)20-19-18(17-8-6-7-16(11-17)13-26)12-25(21(19)23-14-22-20)15-27-9-10-28(3,4)5/h6-8,11-12,14,26H,9-10,13,15H2,1-5H3.
What are the key properties of [3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol?
[3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol has a molecular weight of 398.58 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(dimethylamino)-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol is sourced from PubChem (CID 86706962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).