2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine

C54H51ClF6N12O4 — CID 158546973

About 2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine

2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine (PubChem CID 158546973) has the molecular formula C54H51ClF6N12O4 and a molecular weight of 1081.52 g/mol. Its IUPAC name is 2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine.

Molecular Properties

• Compound Name: 2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine
• PubChem CID: 158546973
• Molecular Formula: C54H51ClF6N12O4
• Molecular Weight: 1081.52 g/mol
• Exact Mass: 1080.37
• IUPAC Name: 2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine
• SMILES: COc1cc(N2CCOCC2)ccc1N.COc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2-c2ncccn2)c(C(F)(F)F)cn1.FC(F)(F)c1cnc(Cl)cc1Nc1ccccc1-c1ncccn1
• InChI: InChI=1S/C27H25F3N6O2.C16H10ClF3N4.C11H16N2O2/c1-37-24-15-18(36-11-13-38-14-12-36)7-8-22(24)35-25-16-23(20(17-33-25)27(28,29)30)34-21-6-3-2-5-19(21)26-31-9-4-10-32-26;17-14-8-13(11(9-23-14)16(18,19)20)24-12-5-2-1-4-10(12)15-21-6-3-7-22-15;1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13/h2-10,15-17H,11-14H2,1H3,(H2,33,34,35);1-9H,(H,23,24);2-3,8H,4-7,12H2,1H3
• InChIKey: HPFWENZPSUVONN-UHFFFAOYSA-N
• XLogP: 11.96
• TPSA: 182.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1081.52
LogP ≤ 5	11.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine?

The IUPAC name of 2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine (CID 158546973) is 2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine.

What is the SMILES notation for 2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine?

The canonical SMILES for 2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine is COc1cc(N2CCOCC2)ccc1N.COc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2-c2ncccn2)c(C(F)(F)F)cn1.FC(F)(F)c1cnc(Cl)cc1Nc1ccccc1-c1ncccn1.

What is the InChIKey of 2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine?

The InChIKey is HPFWENZPSUVONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N6O2.C16H10ClF3N4.C11H16N2O2/c1-37-24-15-18(36-11-13-38-14-12-36)7-8-22(24)35-25-16-23(20(17-33-25)27(28,29)30)34-21-6-3-2-5-19(21)26-31-9-4-10-32-26;17-14-8-13(11(9-23-14)16(18,19)20)24-12-5-2-1-4-10(12)15-21-6-3-7-22-15;1-14-11-8-9(2-3-10(11)12)13-4-6-15-7-5-13/h2-10,15-17H,11-14H2,1H3,(H2,33,34,35);1-9H,(H,23,24);2-3,8H,4-7,12H2,1H3.

What are the key properties of 2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine?

2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine has a molecular weight of 1081.52 g/mol, XLogP of 11.96, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridin-4-amine;2-methoxy-4-morpholin-4-ylaniline;2-N-(2-methoxy-4-morpholin-4-ylphenyl)-4-N-(2-pyrimidin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2,4-diamine is sourced from PubChem (CID 158546973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).