4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

C38H37F3N8O4 — CID 67386191

About 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide

4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 67386191) has the molecular formula C38H37F3N8O4 and a molecular weight of 726.76 g/mol. Its IUPAC name is 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
• PubChem CID: 67386191
• Molecular Formula: C38H37F3N8O4
• Molecular Weight: 726.76 g/mol
• Exact Mass: 726.29
• IUPAC Name: 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
• SMILES: COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=O)Nc3cccc(C(F)(F)F)c3)cn2)cc1
• InChI: InChI=1S/C38H37F3N8O4/c1-51-30-10-6-25(7-11-30)23-48(24-26-8-12-31(52-2)13-9-26)35-42-21-27(22-43-35)33-32-14-15-49(34(32)46-36(45-33)47-16-18-53-19-17-47)37(50)44-29-5-3-4-28(20-29)38(39,40)41/h3-13,20-22H,14-19,23-24H2,1-2H3,(H,44,50)
• InChIKey: GJVGSFLTPXCPBR-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 118.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.76
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

The IUPAC name of 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 67386191) is 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide.

What is the SMILES notation for 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

The canonical SMILES for 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=O)Nc3cccc(C(F)(F)F)c3)cn2)cc1.

What is the InChIKey of 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

The InChIKey is GJVGSFLTPXCPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37F3N8O4/c1-51-30-10-6-25(7-11-30)23-48(24-26-8-12-31(52-2)13-9-26)35-42-21-27(22-43-35)33-32-14-15-49(34(32)46-36(45-33)47-16-18-53-19-17-47)37(50)44-29-5-3-4-28(20-29)38(39,40)41/h3-13,20-22H,14-19,23-24H2,1-2H3,(H,44,50).

What are the key properties of 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide?

4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 726.76 g/mol, XLogP of 6.61, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 67386191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).