2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine

C27H26F3N7OSe — CID 177324156

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine (PubChem CID 177324156) has the molecular formula C27H26F3N7OSe and a molecular weight of 600.51 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine
• PubChem CID: 177324156
• Molecular Formula: C27H26F3N7OSe
• Molecular Weight: 600.51 g/mol
• Exact Mass: 601.13
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine
• SMILES: COc1ncnc(C2CC2)c1-c1ncc2c(C)cn(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)[se]3)c2n1
• InChI: InChI=1S/C27H26F3N7OSe/c1-14(2)37-12-20(27(28,29)30)34-25(37)19-8-7-17(39-19)11-36-10-15(3)18-9-31-23(35-24(18)36)21-22(16-5-6-16)32-13-33-26(21)38-4/h7-10,12-14,16H,5-6,11H2,1-4H3
• InChIKey: MNRWYOHEABUGTB-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 83.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.51
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine?

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine (CID 177324156) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine.

What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine?

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine is COc1ncnc(C2CC2)c1-c1ncc2c(C)cn(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)[se]3)c2n1.

What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine?

The InChIKey is MNRWYOHEABUGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N7OSe/c1-14(2)37-12-20(27(28,29)30)34-25(37)19-8-7-17(39-19)11-36-10-15(3)18-9-31-23(35-24(18)36)21-22(16-5-6-16)32-13-33-26(21)38-4/h7-10,12-14,16H,5-6,11H2,1-4H3.

What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine?

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine has a molecular weight of 600.51 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-methyl-7-[[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methyl]pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 177324156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).