N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine

C25H20ClF6N7 — CID 162619661

About N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine

N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 162619661) has the molecular formula C25H20ClF6N7 and a molecular weight of 567.93 g/mol. Its IUPAC name is N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine
• PubChem CID: 162619661
• Molecular Formula: C25H20ClF6N7
• Molecular Weight: 567.93 g/mol
• Exact Mass: 567.14
• IUPAC Name: N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine
• SMILES: Cc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc(N[C@@H]2CCCC(/C=N/c3cc(C(F)(F)F)nc(Cl)n3)C2)c1F
• InChI: InChI=1S/C25H20ClF6N7/c1-11-20(29)23(39-22(35-11)16-10-34-21-15(16)6-13(27)7-17(21)28)36-14-4-2-3-12(5-14)9-33-19-8-18(25(30,31)32)37-24(26)38-19/h6-10,12,14,34H,2-5H2,1H3,(H,35,36,39)/b33-9+/t12?,14-/m1/s1
• InChIKey: HMGILOHVHAFRFC-KJLVJUMXSA-N
• XLogP: 7.19
• TPSA: 91.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.93
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine?

The IUPAC name of N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine (CID 162619661) is N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine.

What is the SMILES notation for N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine?

The canonical SMILES for N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1nc(-c2c[nH]c3c(F)cc(F)cc23)nc(N[C@@H]2CCCC(/C=N/c3cc(C(F)(F)F)nc(Cl)n3)C2)c1F.

What is the InChIKey of N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine?

The InChIKey is HMGILOHVHAFRFC-KJLVJUMXSA-N. The full InChI is InChI=1S/C25H20ClF6N7/c1-11-20(29)23(39-22(35-11)16-10-34-21-15(16)6-13(27)7-17(21)28)36-14-4-2-3-12(5-14)9-33-19-8-18(25(30,31)32)37-24(26)38-19/h6-10,12,14,34H,2-5H2,1H3,(H,35,36,39)/b33-9+/t12?,14-/m1/s1.

What are the key properties of N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine?

N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 567.93 g/mol, XLogP of 7.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-3-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]cyclohexyl]-2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 162619661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).