2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine

C30H28F3N7O2 — CID 175569480

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine (PubChem CID 175569480) has the molecular formula C30H28F3N7O2 and a molecular weight of 575.60 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
• PubChem CID: 175569480
• Molecular Formula: C30H28F3N7O2
• Molecular Weight: 575.60 g/mol
• Exact Mass: 575.23
• IUPAC Name: 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine
• SMILES: COc1ncnc(C2CC2)c1-c1ncc(-c2ccoc2)c(NCc2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)n1
• InChI: InChI=1S/C30H28F3N7O2/c1-17(2)40-14-23(30(31,32)33)38-28(40)20-6-4-18(5-7-20)12-34-26-22(21-10-11-42-15-21)13-35-27(39-26)24-25(19-8-9-19)36-16-37-29(24)41-3/h4-7,10-11,13-17,19H,8-9,12H2,1-3H3,(H,34,35,39)
• InChIKey: JMOIIZCMMALUIZ-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 103.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.60
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine?

The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine (CID 175569480) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine.

What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine?

The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine is COc1ncnc(C2CC2)c1-c1ncc(-c2ccoc2)c(NCc2ccc(-c3nc(C(F)(F)F)cn3C(C)C)cc2)n1.

What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine?

The InChIKey is JMOIIZCMMALUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N7O2/c1-17(2)40-14-23(30(31,32)33)38-28(40)20-6-4-18(5-7-20)12-34-26-22(21-10-11-42-15-21)13-35-27(39-26)24-25(19-8-9-19)36-16-37-29(24)41-3/h4-7,10-11,13-17,19H,8-9,12H2,1-3H3,(H,34,35,39).

What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine?

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine has a molecular weight of 575.60 g/mol, XLogP of 7.15, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-5-(furan-3-yl)-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 175569480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).