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

C26H22F3N7O — CID 171611696

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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 171611696) has the molecular formula C26H22F3N7O and a molecular weight of 505.50 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
• PubChem CID: 171611696
• Molecular Formula: C26H22F3N7O
• Molecular Weight: 505.50 g/mol
• Exact Mass: 505.18
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
• SMILES: COc1ncnc(C2CC2)c1-c1ncc2[nH]cc(Cc3ccc(-c4nc(C(F)(F)F)c(C)[nH]4)cc3)c2n1
• InChI: InChI=1S/C26H22F3N7O/c1-13-22(26(27,28)29)36-23(34-13)16-5-3-14(4-6-16)9-17-10-30-18-11-31-24(35-20(17)18)19-21(15-7-8-15)32-12-33-25(19)37-2/h3-6,10-12,15,30H,7-9H2,1-2H3,(H,34,36)
• InChIKey: AIZJWEQMTWXIKP-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 105.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.50
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine (CID 171611696) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine.

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

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine is COc1ncnc(C2CC2)c1-c1ncc2[nH]cc(Cc3ccc(-c4nc(C(F)(F)F)c(C)[nH]4)cc3)c2n1.

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

The InChIKey is AIZJWEQMTWXIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N7O/c1-13-22(26(27,28)29)36-23(34-13)16-5-3-14(4-6-16)9-17-10-30-18-11-31-24(35-20(17)18)19-21(15-7-8-15)32-12-33-25(19)37-2/h3-6,10-12,15,30H,7-9H2,1-2H3,(H,34,36).

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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 505.50 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[5-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 171611696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).