6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine

C29H23N7O2 — CID 155306764

About 6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine

6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155306764) has the molecular formula C29H23N7O2 and a molecular weight of 501.55 g/mol. Its IUPAC name is 6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 155306764
• Molecular Formula: C29H23N7O2
• Molecular Weight: 501.55 g/mol
• Exact Mass: 501.19
• IUPAC Name: 6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: C=Cc1ncc(-c2ccc(-c3c(-c4ccc(Oc5nccc(C)n5)cc4)c4c(N)ncnc4n3C)cc2)o1
• InChI: InChI=1S/C29H23N7O2/c1-4-23-32-15-22(38-23)18-5-7-20(8-6-18)26-24(25-27(30)33-16-34-28(25)36(26)3)19-9-11-21(12-10-19)37-29-31-14-13-17(2)35-29/h4-16H,1H2,2-3H3,(H2,30,33,34)
• InChIKey: APZUYAVJJAERPE-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 117.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.55
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 155306764) is 6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine is C=Cc1ncc(-c2ccc(-c3c(-c4ccc(Oc5nccc(C)n5)cc4)c4c(N)ncnc4n3C)cc2)o1.

What is the InChIKey of 6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is APZUYAVJJAERPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N7O2/c1-4-23-32-15-22(38-23)18-5-7-20(8-6-18)26-24(25-27(30)33-16-34-28(25)36(26)3)19-9-11-21(12-10-19)37-29-31-14-13-17(2)35-29/h4-16H,1H2,2-3H3,(H2,30,33,34).

What are the key properties of 6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine?

6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 501.55 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2-ethenyl-1,3-oxazol-5-yl)phenyl]-7-methyl-5-[4-(4-methylpyrimidin-2-yl)oxyphenyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155306764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).