(8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

C₂₅H₂₂F₃N₅O — CID 137348074

About (8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

(8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (PubChem CID 137348074) has the molecular formula C₂₅H₂₂F₃N₅O and a molecular weight of 465.48 g/mol. Its IUPAC name is (8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

• Compound Name: (8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
• PubChem CID: 137348074
• Molecular Formula: C₂₅H₂₂F₃N₅O
• Molecular Weight: 465.48 g/mol
• Exact Mass: 465.18
• IUPAC Name: (8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
• SMILES: COc1ccc([C@]2(c3ccc(F)c(-c4cccnc4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1C
• InChI: InChI=1S/C25H22F3N5O/c1-15-10-17(6-8-21(15)34-2)25(22-31-13-24(27,28)14-33(22)23(29)32-25)18-5-7-20(26)19(11-18)16-4-3-9-30-12-16/h3-12H,13-14H2,1-2H3,(H2,29,32)/t25-/m1/s1
• InChIKey: YGQLOGGNUHAJMB-RUZDIDTESA-N
• XLogP: 4.13
• TPSA: 76.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.48
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?

The IUPAC name of (8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (CID 137348074) is (8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

What is the SMILES notation for (8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?

The canonical SMILES for (8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is COc1ccc([C@]2(c3ccc(F)c(-c4cccnc4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1C.

What is the InChIKey of (8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?

The InChIKey is YGQLOGGNUHAJMB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H22F3N5O/c1-15-10-17(6-8-21(15)34-2)25(22-31-13-24(27,28)14-33(22)23(29)32-25)18-5-7-20(26)19(11-18)16-4-3-9-30-12-16/h3-12H,13-14H2,1-2H3,(H2,29,32)/t25-/m1/s1.

What are the key properties of (8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?

(8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 465.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 137348074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 137348074 — identifiers, structure, computed properties (public domain)

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