7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

C22H32N4OSi — CID 11987561

IUPAC7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2cn(CCCO[Si](C)(C)C(C)(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C22H32N4OSi/c1-16-8-10-17(11-9-16)18-14-26(21-19(18)20(23)24-15-25-21)12-7-13-27-28(5,6)22(2,3)4/h8-11,14-15H,7,12-13H2,1-6H3,(H2,23,24,25)
InChIKeyRFVMOIGQWBIQRO-UHFFFAOYSA-N
MW396.61 g/mol
LogP5.40
Rot. Bonds6

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

7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 11987561) has the molecular formula C22H32N4OSi and a molecular weight of 396.61 g/mol. Its IUPAC name is 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID11987561
Molecular FormulaC22H32N4OSi
Molecular Weight396.61 g/mol
Exact Mass396.23
IUPAC Name7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(-c2cn(CCCO[Si](C)(C)C(C)(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C22H32N4OSi/c1-16-8-10-17(11-9-16)18-14-26(21-19(18)20(23)24-15-25-21)12-7-13-27-28(5,6)22(2,3)4/h8-11,14-15H,7,12-13H2,1-6H3,(H2,23,24,25)
InChIKeyRFVMOIGQWBIQRO-UHFFFAOYSA-N
XLogP5.40
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.61
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 11987561) is 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(-c2cn(CCCO[Si](C)(C)C(C)(C)C)c3ncnc(N)c23)cc1.
What is the InChIKey of 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RFVMOIGQWBIQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4OSi/c1-16-8-10-17(11-9-16)18-14-26(21-19(18)20(23)24-15-25-21)12-7-13-27-28(5,6)22(2,3)4/h8-11,14-15H,7,12-13H2,1-6H3,(H2,23,24,25).
What are the key properties of 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 396.61 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11987561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).