6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine

C19H26ClN5OSi — CID 89315856

IUPAC6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine
SMILESCC(C)(Cc1cccc(CCn2cnc3c(Cl)nc(N)nc32)c1)[Si](C)(C)O
InChIInChI=1S/C19H26ClN5OSi/c1-19(2,27(3,4)26)11-14-7-5-6-13(10-14)8-9-25-12-22-15-16(20)23-18(21)24-17(15)25/h5-7,10,12,26H,8-9,11H2,1-4H3,(H2,21,23,24)
InChIKeyYCYULMNSBHVICO-UHFFFAOYSA-N
MW403.99 g/mol
LogP3.82
Rot. Bonds6

About 6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine

6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine (PubChem CID 89315856) has the molecular formula C19H26ClN5OSi and a molecular weight of 403.99 g/mol. Its IUPAC name is 6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine.

Molecular Properties

Compound Name6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine
PubChem CID89315856
Molecular FormulaC19H26ClN5OSi
Molecular Weight403.99 g/mol
Exact Mass403.16
IUPAC Name6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine
SMILESCC(C)(Cc1cccc(CCn2cnc3c(Cl)nc(N)nc32)c1)[Si](C)(C)O
InChIInChI=1S/C19H26ClN5OSi/c1-19(2,27(3,4)26)11-14-7-5-6-13(10-14)8-9-25-12-22-15-16(20)23-18(21)24-17(15)25/h5-7,10,12,26H,8-9,11H2,1-4H3,(H2,21,23,24)
InChIKeyYCYULMNSBHVICO-UHFFFAOYSA-N
XLogP3.82
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.99
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine?
The IUPAC name of 6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine (CID 89315856) is 6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine.
What is the SMILES notation for 6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine?
The canonical SMILES for 6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine is CC(C)(Cc1cccc(CCn2cnc3c(Cl)nc(N)nc32)c1)[Si](C)(C)O.
What is the InChIKey of 6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine?
The InChIKey is YCYULMNSBHVICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5OSi/c1-19(2,27(3,4)26)11-14-7-5-6-13(10-14)8-9-25-12-22-15-16(20)23-18(21)24-17(15)25/h5-7,10,12,26H,8-9,11H2,1-4H3,(H2,21,23,24).
What are the key properties of 6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine?
6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine has a molecular weight of 403.99 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-[2-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]phenyl]ethyl]purin-2-amine is sourced from PubChem (CID 89315856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).