2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen

C92H117F6N29O3S4 — CID 159914824

About 2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen

2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen (PubChem CID 159914824) has the molecular formula C92H117F6N29O3S4 and a molecular weight of 1919.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen
• PubChem CID: 159914824
• Molecular Formula: C92H117F6N29O3S4
• Molecular Weight: 1919.40 g/mol
• Exact Mass: 1917.87
• IUPAC Name: 2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen
• SMILES: Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Sc3ccc(N)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Sc3ccc(NC4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC(N4CCOCC4)C3)nc(Sc3ccc4c(c3)CN(CC(F)(F)F)C4=O)n2)n[nH]1.Cc1ccc2cc(Sc3nc(Nc4cc(C)[nH]n4)cc(N4CC(O)(C5CC5)C4)n3)cc(F)c2n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H27F3N8O2S.C24H24FN7OS.C23H26FN7S.C20H22FN7S.9H2/c1-15-8-21(33-32-15)29-20-10-22(35-12-17(13-35)34-4-6-38-7-5-34)31-24(30-20)39-18-2-3-19-16(9-18)11-36(23(19)37)14-25(26,27)28;1-13-3-4-15-8-17(9-18(25)22(15)26-13)34-23-28-19(27-20-7-14(2)30-31-20)10-21(29-23)32-11-24(33,12-32)16-5-6-16;1-14-10-20(30-29-14)26-19-11-21(31-12-23(24,13-31)15-2-3-15)28-22(27-19)32-18-8-6-17(7-9-18)25-16-4-5-16;1-12-8-17(27-26-12)23-16-9-18(28-10-20(21,11-28)13-2-3-13)25-19(24-16)29-15-6-4-14(22)5-7-15;;;;;;;;;/h2-3,8-10,17H,4-7,11-14H2,1H3,(H2,29,30,31,32,33);3-4,7-10,16,33H,5-6,11-12H2,1-2H3,(H2,27,28,29,30,31);6-11,15-16,25H,2-5,12-13H2,1H3,(H2,26,27,28,29,30);4-9,13H,2-3,10-11,22H2,1H3,(H2,23,24,25,26,27);9*1H
• InChIKey: NXQHQBNHTWCYAY-UHFFFAOYSA-N
• XLogP: 18.85
• TPSA: 382.87 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1919.40
LogP ≤ 5	18.85
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen?

The IUPAC name of 2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen (CID 159914824) is 2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen.

What is the SMILES notation for 2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen?

The canonical SMILES for 2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen is Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Sc3ccc(N)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Sc3ccc(NC4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC(N4CCOCC4)C3)nc(Sc3ccc4c(c3)CN(CC(F)(F)F)C4=O)n2)n[nH]1.Cc1ccc2cc(Sc3nc(Nc4cc(C)[nH]n4)cc(N4CC(O)(C5CC5)C4)n3)cc(F)c2n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen?

The InChIKey is NXQHQBNHTWCYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N8O2S.C24H24FN7OS.C23H26FN7S.C20H22FN7S.9H2/c1-15-8-21(33-32-15)29-20-10-22(35-12-17(13-35)34-4-6-38-7-5-34)31-24(30-20)39-18-2-3-19-16(9-18)11-36(23(19)37)14-25(26,27)28;1-13-3-4-15-8-17(9-18(25)22(15)26-13)34-23-28-19(27-20-7-14(2)30-31-20)10-21(29-23)32-11-24(33,12-32)16-5-6-16;1-14-10-20(30-29-14)26-19-11-21(31-12-23(24,13-31)15-2-3-15)28-22(27-19)32-18-8-6-17(7-9-18)25-16-4-5-16;1-12-8-17(27-26-12)23-16-9-18(28-10-20(21,11-28)13-2-3-13)25-19(24-16)29-15-6-4-14(22)5-7-15;;;;;;;;;/h2-3,8-10,17H,4-7,11-14H2,1H3,(H2,29,30,31,32,33);3-4,7-10,16,33H,5-6,11-12H2,1-2H3,(H2,27,28,29,30,31);6-11,15-16,25H,2-5,12-13H2,1H3,(H2,26,27,28,29,30);4-9,13H,2-3,10-11,22H2,1H3,(H2,23,24,25,26,27);9*1H.

What are the key properties of 2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen?

2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen has a molecular weight of 1919.40 g/mol, XLogP of 18.85, 27 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-aminophenyl)sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-[4-(cyclopropylamino)phenyl]sulfanyl-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen is sourced from PubChem (CID 159914824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).