6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one

C18H29ClN4O3Si — CID 151051356

IUPAC6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESC[Si](C)(C)CCOCn1c(Cl)cc2c(=O)n(CC3(O)CCNCC3)cnc21
InChIInChI=1S/C18H29ClN4O3Si/c1-27(2,3)9-8-26-13-23-15(19)10-14-16(23)21-12-22(17(14)24)11-18(25)4-6-20-7-5-18/h10,12,20,25H,4-9,11,13H2,1-3H3
InChIKeyMEEOEPMCJOGECX-UHFFFAOYSA-N
MW412.99 g/mol
LogP2.28
Rot. Bonds7

About 6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one

6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 151051356) has the molecular formula C18H29ClN4O3Si and a molecular weight of 412.99 g/mol. Its IUPAC name is 6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID151051356
Molecular FormulaC18H29ClN4O3Si
Molecular Weight412.99 g/mol
Exact Mass412.17
IUPAC Name6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
SMILESC[Si](C)(C)CCOCn1c(Cl)cc2c(=O)n(CC3(O)CCNCC3)cnc21
InChIInChI=1S/C18H29ClN4O3Si/c1-27(2,3)9-8-26-13-23-15(19)10-14-16(23)21-12-22(17(14)24)11-18(25)4-6-20-7-5-18/h10,12,20,25H,4-9,11,13H2,1-3H3
InChIKeyMEEOEPMCJOGECX-UHFFFAOYSA-N
XLogP2.28
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.99
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

6-chloro-7-(4-cyclopropylphenyl)-3-[(4-hydroxypiperidin-4-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-one
CID 139414919
2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 140923779
4-[(6-chloro-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)methyl]-4-hydroxypiperidine-1-carbaldehyde;1-methyl-2-(trifluoromethyl)cyclopropane;morpholine
CID 168992902
5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 146222171
7-chloro-3-(2-trimethylsilylethoxymethyl)pyrido[4,3-d]pyrimidin-4-one
CID 131736065
1-[(2R)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)cyclobutyl]-5-[(4-hydroxypiperidin-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146238741
5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146222123
3-[(4-hydroxypiperidin-4-yl)methyl]-7-methylimidazo[2,1-f][1,2,4]triazin-4-one
CID 155205874
6-chloro-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 168993090
[2-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]methanol
CID 140769621
6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 139415060
CID 174021264
CID 174021264

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one (CID 151051356) is 6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one is C[Si](C)(C)CCOCn1c(Cl)cc2c(=O)n(CC3(O)CCNCC3)cnc21.
What is the InChIKey of 6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is MEEOEPMCJOGECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN4O3Si/c1-27(2,3)9-8-26-13-23-15(19)10-14-16(23)21-12-22(17(14)24)11-18(25)4-6-20-7-5-18/h10,12,20,25H,4-9,11,13H2,1-3H3.
What are the key properties of 6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?
6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 412.99 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-hydroxypiperidin-4-yl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 151051356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).