2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine

C27H37N7O2S — CID 69087767

About 2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine

2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine (PubChem CID 69087767) has the molecular formula C27H37N7O2S and a molecular weight of 523.71 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

• Compound Name: 2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine
• PubChem CID: 69087767
• Molecular Formula: C27H37N7O2S
• Molecular Weight: 523.71 g/mol
• Exact Mass: 523.27
• IUPAC Name: 2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine
• SMILES: CC1=NC2C=CC=CC2N1c1nc(N2CCOCC2)c2sc(CNCC(C)(C)N3CCOCC3)cc2n1
• InChI: InChI=1S/C27H37N7O2S/c1-19-29-21-6-4-5-7-23(21)34(19)26-30-22-16-20(17-28-18-27(2,3)33-10-14-36-15-11-33)37-24(22)25(31-26)32-8-12-35-13-9-32/h4-7,16,21,23,28H,8-15,17-18H2,1-3H3
• InChIKey: WBQJJPYSWAVKGG-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 78.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.71
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine?

The IUPAC name of 2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine (CID 69087767) is 2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine.

What is the SMILES notation for 2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine?

The canonical SMILES for 2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine is CC1=NC2C=CC=CC2N1c1nc(N2CCOCC2)c2sc(CNCC(C)(C)N3CCOCC3)cc2n1.

What is the InChIKey of 2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine?

The InChIKey is WBQJJPYSWAVKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O2S/c1-19-29-21-6-4-5-7-23(21)34(19)26-30-22-16-20(17-28-18-27(2,3)33-10-14-36-15-11-33)37-24(22)25(31-26)32-8-12-35-13-9-32/h4-7,16,21,23,28H,8-15,17-18H2,1-3H3.

What are the key properties of 2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine?

2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine has a molecular weight of 523.71 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[2-(2-methyl-3a,7a-dihydrobenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 69087767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).