2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]furo[3,2-d]pyrimidine

C31H30F3N7O3 — CID 178074522

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]furo[3,2-d]pyrimidine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]furo[3,2-d]pyrimidine (PubChem CID 178074522) has the molecular formula C31H30F3N7O3 and a molecular weight of 605.62 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]furo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]furo[3,2-d]pyrimidine
• PubChem CID: 178074522
• Molecular Formula: C31H30F3N7O3
• Molecular Weight: 605.62 g/mol
• Exact Mass: 605.24
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]furo[3,2-d]pyrimidine
• SMILES: COc1ncnc(C2CC2)c1-c1nc(N2CCOCC2c2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)c2occc2n1
• InChI: InChI=1S/C31H30F3N7O3/c1-17(2)41-14-23(31(32,33)34)38-28(41)20-8-4-18(5-9-20)22-15-43-13-11-40(22)29-26-21(10-12-44-26)37-27(39-29)24-25(19-6-7-19)35-16-36-30(24)42-3/h4-5,8-10,12,14,16-17,19,22H,6-7,11,13,15H2,1-3H3
• InChIKey: SEIVVMKOWISPJI-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 104.22 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.62
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]furo[3,2-d]pyrimidine (CID 178074522) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]furo[3,2-d]pyrimidine.

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

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]furo[3,2-d]pyrimidine is COc1ncnc(C2CC2)c1-c1nc(N2CCOCC2c2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)c2occc2n1.

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

The InChIKey is SEIVVMKOWISPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N7O3/c1-17(2)41-14-23(31(32,33)34)38-28(41)20-8-4-18(5-9-20)22-15-43-13-11-40(22)29-26-21(10-12-44-26)37-27(39-29)24-25(19-6-7-19)35-16-36-30(24)42-3/h4-5,8-10,12,14,16-17,19,22H,6-7,11,13,15H2,1-3H3.

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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]furo[3,2-d]pyrimidine has a molecular weight of 605.62 g/mol, XLogP of 6.61, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-4-[3-[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]morpholin-4-yl]furo[3,2-d]pyrimidine is sourced from PubChem (CID 178074522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).