(Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine

C25H32F6N6 — CID 143813204

About (Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine

(Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine (PubChem CID 143813204) has the molecular formula C25H32F6N6 and a molecular weight of 530.56 g/mol. Its IUPAC name is (Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine.

Molecular Properties

• Compound Name: (Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine
• PubChem CID: 143813204
• Molecular Formula: C25H32F6N6
• Molecular Weight: 530.56 g/mol
• Exact Mass: 530.26
• IUPAC Name: (Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine
• SMILES: CCC1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(/C(=C/NC)CNC)cn2)CN1C
• InChI: InChI=1S/C25H32F6N6/c1-5-21-9-22(15-36(21)4)37(23-34-12-18(13-35-23)17(10-32-2)11-33-3)14-16-6-19(24(26,27)28)8-20(7-16)25(29,30)31/h6-8,10,12-13,21-22,32-33H,5,9,11,14-15H2,1-4H3/b17-10+
• InChIKey: PADYXKUXMOMZCF-LICLKQGHSA-N
• XLogP: 4.78
• TPSA: 56.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.56
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine?

The IUPAC name of (Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine (CID 143813204) is (Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine.

What is the SMILES notation for (Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine?

The canonical SMILES for (Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine is CCC1CC(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(/C(=C/NC)CNC)cn2)CN1C.

What is the InChIKey of (Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine?

The InChIKey is PADYXKUXMOMZCF-LICLKQGHSA-N. The full InChI is InChI=1S/C25H32F6N6/c1-5-21-9-22(15-36(21)4)37(23-34-12-18(13-35-23)17(10-32-2)11-33-3)14-16-6-19(24(26,27)28)8-20(7-16)25(29,30)31/h6-8,10,12-13,21-22,32-33H,5,9,11,14-15H2,1-4H3/b17-10+.

What are the key properties of (Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine?

(Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine has a molecular weight of 530.56 g/mol, XLogP of 4.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-ethyl-1-methylpyrrolidin-3-yl)amino]pyrimidin-5-yl]-N,N'-dimethylprop-1-ene-1,3-diamine is sourced from PubChem (CID 143813204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).