N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C61H56N14O3 — CID 123718014

About N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 123718014) has the molecular formula C61H56N14O3 and a molecular weight of 1033.21 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
• PubChem CID: 123718014
• Molecular Formula: C61H56N14O3
• Molecular Weight: 1033.21 g/mol
• Exact Mass: 1032.47
• IUPAC Name: N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
• SMILES: C=Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.Cc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1.Cc1ccc(C)c(Nc2ncc3ccn(-c4cccnc4)c3n2)c1
• InChI: InChI=1S/C23H22N4O3.2C19H17N5/c1-5-15-7-6-8-18(11-15)27-10-9-16-14-24-23(26-22(16)27)25-17-12-19(28-2)21(30-4)20(13-17)29-3;1-13-5-6-14(2)17(10-13)22-19-21-11-15-7-9-24(18(15)23-19)16-4-3-8-20-12-16;1-13-6-7-14(2)16(11-13)22-19-21-12-15-8-10-24(18(15)23-19)17-5-3-4-9-20-17/h5-14H,1H2,2-4H3,(H,24,25,26);2*3-12H,1-2H3,(H,21,22,23)
• InChIKey: FEDKRIQTVGWQLX-UHFFFAOYSA-N
• XLogP: 13.18
• TPSA: 181.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1033.21
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The IUPAC name of N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 123718014) is N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

What is the SMILES notation for N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The canonical SMILES for N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is C=Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.Cc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1.Cc1ccc(C)c(Nc2ncc3ccn(-c4cccnc4)c3n2)c1.

What is the InChIKey of N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

The InChIKey is FEDKRIQTVGWQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3.2C19H17N5/c1-5-15-7-6-8-18(11-15)27-10-9-16-14-24-23(26-22(16)27)25-17-12-19(28-2)21(30-4)20(13-17)29-3;1-13-5-6-14(2)17(10-13)22-19-21-11-15-7-9-24(18(15)23-19)16-4-3-8-20-12-16;1-13-6-7-14(2)16(11-13)22-19-21-12-15-8-10-24(18(15)23-19)17-5-3-4-9-20-17/h5-14H,1H2,2-4H3,(H,24,25,26);2*3-12H,1-2H3,(H,21,22,23).

What are the key properties of N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?

N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 1033.21 g/mol, XLogP of 13.18, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-(2,5-dimethylphenyl)-7-pyridin-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;7-(3-ethenylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 123718014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).