[2-(4,6-dimethoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol

C24H20F3N7O3 — CID 164881027

About [2-(4,6-dimethoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol

[2-(4,6-dimethoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (PubChem CID 164881027) has the molecular formula C24H20F3N7O3 and a molecular weight of 511.46 g/mol. Its IUPAC name is [2-(4,6-dimethoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.

Molecular Properties

• Compound Name: [2-(4,6-dimethoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
• PubChem CID: 164881027
• Molecular Formula: C24H20F3N7O3
• Molecular Weight: 511.46 g/mol
• Exact Mass: 511.16
• IUPAC Name: [2-(4,6-dimethoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
• SMILES: COc1ncnc(OC)c1-c1ncc2[nH]cc(C(O)c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1
• InChI: InChI=1S/C24H20F3N7O3/c1-34-10-16(24(25,26)27)32-21(34)13-6-4-12(5-7-13)19(35)14-8-28-15-9-29-20(33-18(14)15)17-22(36-2)30-11-31-23(17)37-3/h4-11,19,28,35H,1-3H3
• InChIKey: RNPLIZXFSPWSKA-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 123.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.46
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of [2-(4,6-dimethoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (CID 164881027) is [2-(4,6-dimethoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.

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

The canonical SMILES for [2-(4,6-dimethoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is COc1ncnc(OC)c1-c1ncc2[nH]cc(C(O)c3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.

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

The InChIKey is RNPLIZXFSPWSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O3/c1-34-10-16(24(25,26)27)32-21(34)13-6-4-12(5-7-13)19(35)14-8-28-15-9-29-20(33-18(14)15)17-22(36-2)30-11-31-23(17)37-3/h4-11,19,28,35H,1-3H3.

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

[2-(4,6-dimethoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol has a molecular weight of 511.46 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4,6-dimethoxypyrimidin-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is sourced from PubChem (CID 164881027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).