4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine

C40H40N10OS2 — CID 158922920

About 4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine

4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 158922920) has the molecular formula C40H40N10OS2 and a molecular weight of 740.96 g/mol. Its IUPAC name is 4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
• PubChem CID: 158922920
• Molecular Formula: C40H40N10OS2
• Molecular Weight: 740.96 g/mol
• Exact Mass: 740.28
• IUPAC Name: 4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
• SMILES: CCC(C)n1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1.Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3C3CCC(O)CC3)cc12
• InChI: InChI=1S/C21H21N5OS.C19H19N5S/c22-20-16-10-17(28-21(16)24-11-23-20)19-18(13-4-2-1-3-5-13)25-12-26(19)14-6-8-15(27)9-7-14;1-3-12(2)24-11-23-16(13-7-5-4-6-8-13)17(24)15-9-14-18(20)21-10-22-19(14)25-15/h1-5,10-12,14-15,27H,6-9H2,(H2,22,23,24);4-12H,3H2,1-2H3,(H2,20,21,22)
• InChIKey: JIBJKIUOPKWVEZ-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 159.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	740.96
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?

The IUPAC name of 4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 158922920) is 4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine is CCC(C)n1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1.Nc1ncnc2sc(-c3c(-c4ccccc4)ncn3C3CCC(O)CC3)cc12.

What is the InChIKey of 4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?

The InChIKey is JIBJKIUOPKWVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS.C19H19N5S/c22-20-16-10-17(28-21(16)24-11-23-20)19-18(13-4-2-1-3-5-13)25-12-26(19)14-6-8-15(27)9-7-14;1-3-12(2)24-11-23-16(13-7-5-4-6-8-13)17(24)15-9-14-18(20)21-10-22-19(14)25-15/h1-5,10-12,14-15,27H,6-9H2,(H2,22,23,24);4-12H,3H2,1-2H3,(H2,20,21,22).

What are the key properties of 4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine?

4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 740.96 g/mol, XLogP of 9.06, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(4-aminothieno[2,3-d]pyrimidin-6-yl)-4-phenylimidazol-1-yl]cyclohexan-1-ol;6-(3-butan-2-yl-5-phenylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158922920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).