5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C24H19FN6O2 — CID 118119801

About 5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 118119801) has the molecular formula C24H19FN6O2 and a molecular weight of 442.45 g/mol. Its IUPAC name is 5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 118119801
• Molecular Formula: C24H19FN6O2
• Molecular Weight: 442.45 g/mol
• Exact Mass: 442.16
• IUPAC Name: 5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4c[nH]c5ncnc(N)c45)cc3)c2)cn1
• InChI: InChI=1S/C24H19FN6O2/c1-14-27-9-15(10-28-14)12-32-19-6-17(25)7-20(8-19)33-18-4-2-16(3-5-18)21-11-29-24-22(21)23(26)30-13-31-24/h2-11,13H,12H2,1H3,(H3,26,29,30,31)
• InChIKey: ACVGBKBUTMVRDI-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 111.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.45
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 118119801) is 5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4c[nH]c5ncnc(N)c45)cc3)c2)cn1.

What is the InChIKey of 5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is ACVGBKBUTMVRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O2/c1-14-27-9-15(10-28-14)12-32-19-6-17(25)7-20(8-19)33-18-4-2-16(3-5-18)21-11-29-24-22(21)23(26)30-13-31-24/h2-11,13H,12H2,1H3,(H3,26,29,30,31).

What are the key properties of 5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 442.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118119801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).