(2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide

C82H88F8N28O11S — CID 158185219

About (2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide

(2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide (PubChem CID 158185219) has the molecular formula C82H88F8N28O11S and a molecular weight of 1825.84 g/mol. Its IUPAC name is (2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide
• PubChem CID: 158185219
• Molecular Formula: C82H88F8N28O11S
• Molecular Weight: 1825.84 g/mol
• Exact Mass: 1824.68
• IUPAC Name: (2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide
• SMILES: Cc1cc(C)n(-c2cc(N3CCOC(C(N)=O)C3)nc(Nc3ccc(F)c(F)c3)n2)n1.Cc1cc(C)n(-c2cc(N3CCOC(C(N)=O)C3)nc(S(C)(=O)=O)n2)n1.Cc1cc(C)n(-c2cc(N3CCO[C@@H](C(N)=O)C3)nc(Nc3ccc(F)c(F)c3)n2)n1.Cc1cc(C)n(-c2cc(N3CCO[C@H](C(N)=O)C3)nc(Nc3ccc(F)c(F)c3)n2)n1.O=CNc1ccc(F)c(F)c1
• InChI: InChI=1S/3C20H21F2N7O2.C15H20N6O4S.C7H5F2NO/c3*1-11-7-12(2)29(27-11)18-9-17(28-5-6-31-16(10-28)19(23)30)25-20(26-18)24-13-3-4-14(21)15(22)8-13;1-9-6-10(2)21(19-9)13-7-12(17-15(18-13)26(3,23)24)20-4-5-25-11(8-20)14(16)22;8-6-2-1-5(10-4-11)3-7(6)9/h3*3-4,7-9,16H,5-6,10H2,1-2H3,(H2,23,30)(H,24,25,26);6-7,11H,4-5,8H2,1-3H3,(H2,16,22);1-4H,(H,10,11)/t2*16-;;;/m10.../s1
• InChIKey: FZBITHCOEUTAAO-UVEUQFPUSA-N
• XLogP: 6.88
• TPSA: 495.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1825.84
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide?

The IUPAC name of (2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide (CID 158185219) is (2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide.

What is the SMILES notation for (2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide?

The canonical SMILES for (2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide is Cc1cc(C)n(-c2cc(N3CCOC(C(N)=O)C3)nc(Nc3ccc(F)c(F)c3)n2)n1.Cc1cc(C)n(-c2cc(N3CCOC(C(N)=O)C3)nc(S(C)(=O)=O)n2)n1.Cc1cc(C)n(-c2cc(N3CCO[C@@H](C(N)=O)C3)nc(Nc3ccc(F)c(F)c3)n2)n1.Cc1cc(C)n(-c2cc(N3CCO[C@H](C(N)=O)C3)nc(Nc3ccc(F)c(F)c3)n2)n1.O=CNc1ccc(F)c(F)c1.

What is the InChIKey of (2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide?

The InChIKey is FZBITHCOEUTAAO-UVEUQFPUSA-N. The full InChI is InChI=1S/3C20H21F2N7O2.C15H20N6O4S.C7H5F2NO/c3*1-11-7-12(2)29(27-11)18-9-17(28-5-6-31-16(10-28)19(23)30)25-20(26-18)24-13-3-4-14(21)15(22)8-13;1-9-6-10(2)21(19-9)13-7-12(17-15(18-13)26(3,23)24)20-4-5-25-11(8-20)14(16)22;8-6-2-1-5(10-4-11)3-7(6)9/h3*3-4,7-9,16H,5-6,10H2,1-2H3,(H2,23,30)(H,24,25,26);6-7,11H,4-5,8H2,1-3H3,(H2,16,22);1-4H,(H,10,11)/t2*16-;;;/m10.../s1.

What are the key properties of (2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide?

(2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide has a molecular weight of 1825.84 g/mol, XLogP of 6.88, 21 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;(2R)-4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[2-(3,4-difluoroanilino)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;N-(3,4-difluorophenyl)formamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide is sourced from PubChem (CID 158185219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).