N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine

C34H37F9N6O — CID 24852324

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine (PubChem CID 24852324) has the molecular formula C34H37F9N6O and a molecular weight of 716.69 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine
• PubChem CID: 24852324
• Molecular Formula: C34H37F9N6O
• Molecular Weight: 716.69 g/mol
• Exact Mass: 716.29
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine
• SMILES: FC(F)(F)c1cc(CN(Cc2cc(C(F)(F)F)cnc2N2CCC[C@@H]2C2CCCCC2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C34H37F9N6O/c35-32(36,37)25-13-22(14-26(16-25)33(38,39)40)20-48(31-45-18-28(19-46-31)47-9-11-50-12-10-47)21-24-15-27(34(41,42)43)17-44-30(24)49-8-4-7-29(49)23-5-2-1-3-6-23/h13-19,23,29H,1-12,20-21H2/t29-/m1/s1
• InChIKey: PKWOLGLNEOMACC-GDLZYMKVSA-N
• XLogP: 8.52
• TPSA: 57.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.69
LogP ≤ 5	8.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine (CID 24852324) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine is FC(F)(F)c1cc(CN(Cc2cc(C(F)(F)F)cnc2N2CCC[C@@H]2C2CCCCC2)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine?

The InChIKey is PKWOLGLNEOMACC-GDLZYMKVSA-N. The full InChI is InChI=1S/C34H37F9N6O/c35-32(36,37)25-13-22(14-26(16-25)33(38,39)40)20-48(31-45-18-28(19-46-31)47-9-11-50-12-10-47)21-24-15-27(34(41,42)43)17-44-30(24)49-8-4-7-29(49)23-5-2-1-3-6-23/h13-19,23,29H,1-12,20-21H2/t29-/m1/s1.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 716.69 g/mol, XLogP of 8.52, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[2-[(2R)-2-cyclohexylpyrrolidin-1-yl]-5-(trifluoromethyl)-3-pyridinyl]methyl]-5-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 24852324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).