5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C14H23ClN4OSi — CID 10853618

IUPAC5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)(C)[Si](C)(C)OCCc1c[nH]c2nc(N)nc(Cl)c12
InChIInChI=1S/C14H23ClN4OSi/c1-14(2,3)21(4,5)20-7-6-9-8-17-12-10(9)11(15)18-13(16)19-12/h8H,6-7H2,1-5H3,(H3,16,17,18,19)
InChIKeyXSHUTTSWBUGIHM-UHFFFAOYSA-N
MW326.90 g/mol
LogP3.76
Rot. Bonds4

About 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine

5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 10853618) has the molecular formula C14H23ClN4OSi and a molecular weight of 326.90 g/mol. Its IUPAC name is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID10853618
Molecular FormulaC14H23ClN4OSi
Molecular Weight326.90 g/mol
Exact Mass326.13
IUPAC Name5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCC(C)(C)[Si](C)(C)OCCc1c[nH]c2nc(N)nc(Cl)c12
InChIInChI=1S/C14H23ClN4OSi/c1-14(2,3)21(4,5)20-7-6-9-8-17-12-10(9)11(15)18-13(16)19-12/h8H,6-7H2,1-5H3,(H3,16,17,18,19)
InChIKeyXSHUTTSWBUGIHM-UHFFFAOYSA-N
XLogP3.76
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.90
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(3-chloropropyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 102311367
4,5-dichloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11506669
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloroaniline
CID 68654630
4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-chloroaniline
CID 166154406
tert-butyl-dimethyl-[2-(7-methyl-1H-indol-3-yl)ethoxy]silane
CID 141078795
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyridine-2,5-diamine
CID 68848859
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-methylpyridine-2-carbaldehyde
CID 158302503
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyl-1H-pyrrol-2-ol
CID 91459438
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzaldehyde
CID 13305849
6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,3-dichloropyrrolo[3,4-b]pyrazine-5,7-dione
CID 15471536
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-chloropyrazol-4-amine
CID 165385908
tert-butyl-[2-[(5-chloro-2-pyridinyl)sulfanyl]ethoxy]-dimethylsilane
CID 22964739

Frequently Asked Questions

What is the IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 10853618) is 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine is CC(C)(C)[Si](C)(C)OCCc1c[nH]c2nc(N)nc(Cl)c12.
What is the InChIKey of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is XSHUTTSWBUGIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4OSi/c1-14(2,3)21(4,5)20-7-6-9-8-17-12-10(9)11(15)18-13(16)19-12/h8H,6-7H2,1-5H3,(H3,16,17,18,19).
What are the key properties of 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 326.90 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 10853618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).