N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine

C48H48F7N15O — CID 143471197

About N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine

N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine (PubChem CID 143471197) has the molecular formula C48H48F7N15O and a molecular weight of 984.00 g/mol. Its IUPAC name is N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine.

Molecular Properties

• Compound Name: N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine
• PubChem CID: 143471197
• Molecular Formula: C48H48F7N15O
• Molecular Weight: 984.00 g/mol
• Exact Mass: 983.41
• IUPAC Name: N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine
• SMILES: CC1CNN(c2cccc(C(F)(F)F)c2)C1.Cc1ccc2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)nc(C)c2c1.Nc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)nc1
• InChI: InChI=1S/C23H19F3N6.C14H16FN7O.C11H13F3N2/c1-14-6-9-21-20(10-14)15(2)29-22(31-21)32-28-13-18-7-8-19(12-27-18)30-17-5-3-4-16(11-17)23(24,25)26;15-12-9-18-14(20-13(12)22-3-5-23-6-4-22)21-19-8-11-2-1-10(16)7-17-11;1-8-6-15-16(7-8)10-4-2-3-9(5-10)11(12,13)14/h3-13,30H,1-2H3,(H,29,31,32);1-2,7-9H,3-6,16H2,(H,18,20,21);2-5,8,15H,6-7H2,1H3/b28-13+;19-8+
• InChIKey: XBYUHWJDTJJBDA-RAKBKBBYSA-N
• XLogP: 9.39
• TPSA: 191.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	984.00
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine?

The IUPAC name of N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine (CID 143471197) is N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine.

What is the SMILES notation for N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine?

The canonical SMILES for N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine is CC1CNN(c2cccc(C(F)(F)F)c2)C1.Cc1ccc2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)nc(C)c2c1.Nc1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)nc1.

What is the InChIKey of N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine?

The InChIKey is XBYUHWJDTJJBDA-RAKBKBBYSA-N. The full InChI is InChI=1S/C23H19F3N6.C14H16FN7O.C11H13F3N2/c1-14-6-9-21-20(10-14)15(2)29-22(31-21)32-28-13-18-7-8-19(12-27-18)30-17-5-3-4-16(11-17)23(24,25)26;15-12-9-18-14(20-13(12)22-3-5-23-6-4-22)21-19-8-11-2-1-10(16)7-17-11;1-8-6-15-16(7-8)10-4-2-3-9(5-10)11(12,13)14/h3-13,30H,1-2H3,(H,29,31,32);1-2,7-9H,3-6,16H2,(H,18,20,21);2-5,8,15H,6-7H2,1H3/b28-13+;19-8+;.

What are the key properties of N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine?

N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine has a molecular weight of 984.00 g/mol, XLogP of 9.39, 10 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-(5-amino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;4,6-dimethyl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]quinazolin-2-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]pyrazolidine is sourced from PubChem (CID 143471197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).