N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one

C117H119N25O12 — CID 160677643

About N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one

N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one (PubChem CID 160677643) has the molecular formula C117H119N25O12 and a molecular weight of 2067.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one
• PubChem CID: 160677643
• Molecular Formula: C117H119N25O12
• Molecular Weight: 2067.40 g/mol
• Exact Mass: 2065.95
• IUPAC Name: N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one
• SMILES: CCCCC(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NC5CCC5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCCN)c4)c3n2)cc(OC)c1OC.c1ccc(-n2ccc3cnc(Nc4cccc5c4CCCC5)nc32)nc1.c1ccc(CNc2ncc3ccn(-c4ccccn4)c3n2)cc1
• InChI: InChI=1S/C26H30N6O4.C26H27N5O4.C26H28N4O4.C21H19N5.C18H15N5/c1-34-21-14-19(15-22(35-2)24(21)36-3)30-26-29-16-18-9-12-32(25(18)31-26)20-6-4-5-17(13-20)7-8-23(33)28-11-10-27;1-33-21-13-19(14-22(34-2)23(21)35-3)29-26-27-15-17-10-11-31(24(17)30-26)20-9-4-6-16(12-20)25(32)28-18-7-5-8-18;1-5-6-10-21(31)17-8-7-9-20(13-17)30-12-11-18-16-27-26(29-25(18)30)28-19-14-22(32-2)24(34-4)23(15-19)33-3;1-2-8-17-15(6-1)7-5-9-18(17)24-21-23-14-16-11-13-26(20(16)25-21)19-10-3-4-12-22-19;1-2-6-14(7-3-1)12-20-18-21-13-15-9-11-23(17(15)22-18)16-8-4-5-10-19-16/h4-6,9,12-16H,7-8,10-11,27H2,1-3H3,(H,28,33)(H,29,30,31);4,6,9-15,18H,5,7-8H2,1-3H3,(H,28,32)(H,27,29,30);7-9,11-16H,5-6,10H2,1-4H3,(H,27,28,29);3-5,7,9-14H,1-2,6,8H2,(H,23,24,25);1-11,13H,12H2,(H,20,21,22)
• InChIKey: RNSQFIZJBKTARS-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 423.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2067.40
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one?

The IUPAC name of N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one (CID 160677643) is N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one.

What is the SMILES notation for N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one?

The canonical SMILES for N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one is CCCCC(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1.COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)NC5CCC5)c4)c3n2)cc(OC)c1OC.COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)NCCN)c4)c3n2)cc(OC)c1OC.c1ccc(-n2ccc3cnc(Nc4cccc5c4CCCC5)nc32)nc1.c1ccc(CNc2ncc3ccn(-c4ccccn4)c3n2)cc1.

What is the InChIKey of N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one?

The InChIKey is RNSQFIZJBKTARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O4.C26H27N5O4.C26H28N4O4.C21H19N5.C18H15N5/c1-34-21-14-19(15-22(35-2)24(21)36-3)30-26-29-16-18-9-12-32(25(18)31-26)20-6-4-5-17(13-20)7-8-23(33)28-11-10-27;1-33-21-13-19(14-22(34-2)23(21)35-3)29-26-27-15-17-10-11-31(24(17)30-26)20-9-4-6-16(12-20)25(32)28-18-7-5-8-18;1-5-6-10-21(31)17-8-7-9-20(13-17)30-12-11-18-16-27-26(29-25(18)30)28-19-14-22(32-2)24(34-4)23(15-19)33-3;1-2-8-17-15(6-1)7-5-9-18(17)24-21-23-14-16-11-13-26(20(16)25-21)19-10-3-4-12-22-19;1-2-6-14(7-3-1)12-20-18-21-13-15-9-11-23(17(15)22-18)16-8-4-5-10-19-16/h4-6,9,12-16H,7-8,10-11,27H2,1-3H3,(H,28,33)(H,29,30,31);4,6,9-15,18H,5,7-8H2,1-3H3,(H,28,32)(H,27,29,30);7-9,11-16H,5-6,10H2,1-4H3,(H,27,28,29);3-5,7,9-14H,1-2,6,8H2,(H,23,24,25);1-11,13H,12H2,(H,20,21,22).

What are the key properties of N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one?

N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one has a molecular weight of 2067.40 g/mol, XLogP of 21.10, 36 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-3-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]propanamide;N-benzyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine;N-cyclobutyl-3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]benzamide;7-pyridin-2-yl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolo[2,3-d]pyrimidin-2-amine;1-[3-[2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]pentan-1-one is sourced from PubChem (CID 160677643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).