tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane

C87H108Cl3IN14O6Si2 — CID 160671244

About tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane

tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane (PubChem CID 160671244) has the molecular formula C87H108Cl3IN14O6Si2 and a molecular weight of 1735.35 g/mol. Its IUPAC name is tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane.

Molecular Properties

• Compound Name: tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane
• PubChem CID: 160671244
• Molecular Formula: C87H108Cl3IN14O6Si2
• Molecular Weight: 1735.35 g/mol
• Exact Mass: 1732.62
• IUPAC Name: tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane
• SMILES: C.CC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1)c1ccc(C=O)cc1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(N(Cc3ccc(Cl)cc3)C(=O)OC(C)(C)C)nc2)c2cncnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cncnc21.Clc1ccc(CNc2ccc(Cc3c[nH]c4ncncc34)cn2)cc1
• InChI: InChI=1S/C33H44ClN5O3Si.C19H16ClN5.C19H20ClNO3.C15H24IN3Si.CH4/c1-21(2)43(22(3)4,23(5)6)39-19-28(27-17-35-20-37-31(27)39)30(40)25-12-15-29(36-16-25)38(32(41)42-33(7,8)9)18-24-10-13-26(34)14-11-24;20-16-4-1-13(2-5-16)8-22-18-6-3-14(9-23-18)7-15-10-24-19-17(15)11-21-12-25-19;1-19(2,3)24-18(23)21(12-14-4-8-16(20)9-5-14)17-10-6-15(13-22)7-11-17;1-10(2)20(11(3)4,12(5)6)19-8-14(16)13-7-17-9-18-15(13)19;/h10-17,19-23,30,40H,18H2,1-9H3;1-6,9-12H,7-8H2,(H,22,23)(H,21,24,25);4-11,13H,12H2,1-3H3;7-12H,1-6H3;1H4
• InChIKey: RMYLSVTWQBBONP-UHFFFAOYSA-N
• XLogP: 23.53
• TPSA: 237.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1735.35
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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 tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane?

The IUPAC name of tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane (CID 160671244) is tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane.

What is the SMILES notation for tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane?

The canonical SMILES for tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane is C.CC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1)c1ccc(C=O)cc1.CC(C)[Si](C(C)C)(C(C)C)n1cc(C(O)c2ccc(N(Cc3ccc(Cl)cc3)C(=O)OC(C)(C)C)nc2)c2cncnc21.CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cncnc21.Clc1ccc(CNc2ccc(Cc3c[nH]c4ncncc34)cn2)cc1.

What is the InChIKey of tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane?

The InChIKey is RMYLSVTWQBBONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44ClN5O3Si.C19H16ClN5.C19H20ClNO3.C15H24IN3Si.CH4/c1-21(2)43(22(3)4,23(5)6)39-19-28(27-17-35-20-37-31(27)39)30(40)25-12-15-29(36-16-25)38(32(41)42-33(7,8)9)18-24-10-13-26(34)14-11-24;20-16-4-1-13(2-5-16)8-22-18-6-3-14(9-23-18)7-15-10-24-19-17(15)11-21-12-25-19;1-19(2,3)24-18(23)21(12-14-4-8-16(20)9-5-14)17-10-6-15(13-22)7-11-17;1-10(2)20(11(3)4,12(5)6)19-8-14(16)13-7-17-9-18-15(13)19;/h10-17,19-23,30,40H,18H2,1-9H3;1-6,9-12H,7-8H2,(H,22,23)(H,21,24,25);4-11,13H,12H2,1-3H3;7-12H,1-6H3;1H4.

What are the key properties of tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane?

tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane has a molecular weight of 1735.35 g/mol, XLogP of 23.53, 22 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(4-chlorophenyl)methyl]-N-(4-formylphenyl)carbamate;tert-butyl N-[(4-chlorophenyl)methyl]-N-[5-[hydroxy-[7-tri(propan-2-yl)silylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]-2-pyridinyl]carbamate;N-[(4-chlorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyridin-2-amine;(5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane is sourced from PubChem (CID 160671244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).