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

C26H24F3N7O2 — CID 172584334

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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 172584334) has the molecular formula C26H24F3N7O2 and a molecular weight of 523.52 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
• PubChem CID: 172584334
• Molecular Formula: C26H24F3N7O2
• Molecular Weight: 523.52 g/mol
• Exact Mass: 523.19
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
• SMILES: COc1ncnc(C2CC2)c1-c1nc2c(c(=O)n1Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)CNC2
• InChI: InChI=1S/C26H24F3N7O2/c1-35-12-19(26(27,28)29)34-22(35)16-5-3-14(4-6-16)11-36-23(33-18-10-30-9-17(18)25(36)37)20-21(15-7-8-15)31-13-32-24(20)38-2/h3-6,12-13,15,30H,7-11H2,1-2H3
• InChIKey: MMSLHINLICPJGC-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 99.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.52
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one (CID 172584334) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one.

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

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one is COc1ncnc(C2CC2)c1-c1nc2c(c(=O)n1Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)CNC2.

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

The InChIKey is MMSLHINLICPJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O2/c1-35-12-19(26(27,28)29)34-22(35)16-5-3-14(4-6-16)11-36-23(33-18-10-30-9-17(18)25(36)37)20-21(15-7-8-15)31-13-32-24(20)38-2/h3-6,12-13,15,30H,7-11H2,1-2H3.

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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 523.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-3-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 172584334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).