N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

C64H68Cl4I2N16O2Si2 — CID 165061265

About N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane

N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane (PubChem CID 165061265) has the molecular formula C64H68Cl4I2N16O2Si2 and a molecular weight of 1545.15 g/mol. Its IUPAC name is N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
• PubChem CID: 165061265
• Molecular Formula: C64H68Cl4I2N16O2Si2
• Molecular Weight: 1545.15 g/mol
• Exact Mass: 1542.21
• IUPAC Name: N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
• SMILES: CCCCNc1ncnc2[nH]cc(-c3ccccc3)c12.C[Si](C)(C)CCOCn1cc(-c2ccccc2)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)ncnc21.Clc1ncnc2[nH]cc(-c3ccccc3)c12.Clc1ncnc2[nH]cc(I)c12
• InChI: InChI=1S/C18H22ClN3OSi.C16H18N4.C12H17ClIN3OSi.C12H8ClN3.C6H3ClIN3/c1-24(2,3)10-9-23-13-22-11-15(14-7-5-4-6-8-14)16-17(19)20-12-21-18(16)22;1-2-3-9-17-15-14-13(12-7-5-4-6-8-12)10-18-16(14)20-11-19-15;1-19(2,3)5-4-18-8-17-6-9(14)10-11(13)15-7-16-12(10)17;13-11-10-9(8-4-2-1-3-5-8)6-14-12(10)16-7-15-11;7-5-4-3(8)1-9-6(4)11-2-10-5/h4-8,11-12H,9-10,13H2,1-3H3;4-8,10-11H,2-3,9H2,1H3,(H2,17,18,19,20);6-7H,4-5,8H2,1-3H3;1-7H,(H,14,15,16);1-2H,(H,9,10,11)
• InChIKey: RFZHDWSGNQGMAR-UHFFFAOYSA-N
• XLogP: 18.40
• TPSA: 216.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1545.15
LogP ≤ 5	18.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?

The IUPAC name of N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane (CID 165061265) is N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane.

What is the SMILES notation for N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?

The canonical SMILES for N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane is CCCCNc1ncnc2[nH]cc(-c3ccccc3)c12.C[Si](C)(C)CCOCn1cc(-c2ccccc2)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1cc(I)c2c(Cl)ncnc21.Clc1ncnc2[nH]cc(-c3ccccc3)c12.Clc1ncnc2[nH]cc(I)c12.

What is the InChIKey of N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?

The InChIKey is RFZHDWSGNQGMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OSi.C16H18N4.C12H17ClIN3OSi.C12H8ClN3.C6H3ClIN3/c1-24(2,3)10-9-23-13-22-11-15(14-7-5-4-6-8-14)16-17(19)20-12-21-18(16)22;1-2-3-9-17-15-14-13(12-7-5-4-6-8-12)10-18-16(14)20-11-19-15;1-19(2,3)5-4-18-8-17-6-9(14)10-11(13)15-7-16-12(10)17;13-11-10-9(8-4-2-1-3-5-8)6-14-12(10)16-7-15-11;7-5-4-3(8)1-9-6(4)11-2-10-5/h4-8,11-12H,9-10,13H2,1-3H3;4-8,10-11H,2-3,9H2,1H3,(H2,17,18,19,20);6-7H,4-5,8H2,1-3H3;1-7H,(H,14,15,16);1-2H,(H,9,10,11).

What are the key properties of N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane?

N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 1545.15 g/mol, XLogP of 18.40, 17 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;4-chloro-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine;2-[(4-chloro-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 165061265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).