4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine

C31H30F3N7O2S — CID 178074544

About 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine

4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine (PubChem CID 178074544) has the molecular formula C31H30F3N7O2S and a molecular weight of 621.69 g/mol. Its IUPAC name is 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine
• PubChem CID: 178074544
• Molecular Formula: C31H30F3N7O2S
• Molecular Weight: 621.69 g/mol
• Exact Mass: 621.21
• IUPAC Name: 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine
• SMILES: COc1ncnc(C2CC2)c1-c1nc(N2CCOCC2c2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)c2sccc2n1
• InChI: InChI=1S/C31H30F3N7O2S/c1-17(2)41-14-23(31(32,33)34)38-28(41)20-8-4-18(5-9-20)22-15-43-12-11-40(22)29-26-21(10-13-44-26)37-27(39-29)24-25(19-6-7-19)35-16-36-30(24)42-3/h4-5,8-10,13-14,16-17,19,22H,6-7,11-12,15H2,1-3H3
• InChIKey: LTOZQUVADDIGCT-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 91.08 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.69
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine?

The IUPAC name of 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine (CID 178074544) is 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine.

What is the SMILES notation for 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine?

The canonical SMILES for 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine is COc1ncnc(C2CC2)c1-c1nc(N2CCOCC2c2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)c2sccc2n1.

What is the InChIKey of 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine?

The InChIKey is LTOZQUVADDIGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N7O2S/c1-17(2)41-14-23(31(32,33)34)38-28(41)20-8-4-18(5-9-20)22-15-43-12-11-40(22)29-26-21(10-13-44-26)37-27(39-29)24-25(19-6-7-19)35-16-36-30(24)42-3/h4-5,8-10,13-14,16-17,19,22H,6-7,11-12,15H2,1-3H3.

What are the key properties of 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine?

4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine has a molecular weight of 621.69 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-yl]-3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholine is sourced from PubChem (CID 178074544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).