4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine

C46H68Cl2I2N12Si2 — CID 161037933

About 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine

4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 161037933) has the molecular formula C46H68Cl2I2N12Si2 and a molecular weight of 1170.02 g/mol. Its IUPAC name is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine
• PubChem CID: 161037933
• Molecular Formula: C46H68Cl2I2N12Si2
• Molecular Weight: 1170.02 g/mol
• Exact Mass: 1168.27
• IUPAC Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine
• SMILES: C.CC(C)[Si](Cl)(C(C)C)C(C)C.Cc1ncnc2[nH]cc(I)c12.Cc1ncnc2[nH]ccc12.Cc1ncnc2c1c(I)cn2[Si](C(C)C)(C(C)C)C(C)C.Clc1ncnc2[nH]ccc12
• InChI: InChI=1S/C16H26IN3Si.C9H21ClSi.C7H6IN3.C7H7N3.C6H4ClN3.CH4/c1-10(2)21(11(3)4,12(5)6)20-8-14(17)15-13(7)18-9-19-16(15)20;1-7(2)11(10,8(3)4)9(5)6;1-4-6-5(8)2-9-7(6)11-3-10-4;1-5-6-2-3-8-7(6)10-4-9-5;7-5-4-1-2-8-6(4)10-3-9-5;/h8-12H,1-7H3;7-9H,1-6H3;2-3H,1H3,(H,9,10,11);2-4H,1H3,(H,8,9,10);1-3H,(H,8,9,10);1H4
• InChIKey: UAMOIKRURNBITG-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 155.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1170.02
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine?

The IUPAC name of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 161037933) is 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine?

The canonical SMILES for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine is C.CC(C)[Si](Cl)(C(C)C)C(C)C.Cc1ncnc2[nH]cc(I)c12.Cc1ncnc2[nH]ccc12.Cc1ncnc2c1c(I)cn2[Si](C(C)C)(C(C)C)C(C)C.Clc1ncnc2[nH]ccc12.

What is the InChIKey of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine?

The InChIKey is UAMOIKRURNBITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26IN3Si.C9H21ClSi.C7H6IN3.C7H7N3.C6H4ClN3.CH4/c1-10(2)21(11(3)4,12(5)6)20-8-14(17)15-13(7)18-9-19-16(15)20;1-7(2)11(10,8(3)4)9(5)6;1-4-6-5(8)2-9-7(6)11-3-10-4;1-5-6-2-3-8-7(6)10-4-9-5;7-5-4-1-2-8-6(4)10-3-9-5;/h8-12H,1-7H3;7-9H,1-6H3;2-3H,1H3,(H,9,10,11);2-4H,1H3,(H,8,9,10);1-3H,(H,8,9,10);1H4.

What are the key properties of 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine?

4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 1170.02 g/mol, XLogP of 15.15, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-7H-pyrrolo[2,3-d]pyrimidine;chloro-tri(propan-2-yl)silane;5-iodo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;(5-iodo-4-methylpyrrolo[2,3-d]pyrimidin-7-yl)-tri(propan-2-yl)silane;methane;4-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 161037933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).