sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide

C98H95ClF8N25NaO4 — CID 158225961

About sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide

sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide (PubChem CID 158225961) has the molecular formula C98H95ClF8N25NaO4 and a molecular weight of 1897.44 g/mol. Its IUPAC name is sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide.

Molecular Properties

• Compound Name: sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide
• PubChem CID: 158225961
• Molecular Formula: C98H95ClF8N25NaO4
• Molecular Weight: 1897.44 g/mol
• Exact Mass: 1895.75
• IUPAC Name: sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide
• SMILES: C.C.CCc1ncc(N)c(-c2ccccc2)n1.CCc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(-c2ccccc2)n1.Cc1cnc(CCl)nc1-c1ccccc1.Cc1cnc(CN)nc1-c1ccccc1.Cc1cnc(CN=[N+]=[N-])nc1-c1ccccc1.Cc1cnc(CO)nc1-c1ccccc1.Cn1ccc(-c2cc(C(=O)O)c(F)cc2C(F)(F)F)n1.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/C24H19F4N5O.C12H11ClN2.C12H8F4N2O2.C12H11N5.2C12H13N3.C12H12N2O.2CH4.N3.Na/c1-3-21-29-13-20(22(31-21)14-7-5-4-6-8-14)30-23(34)16-11-15(19-9-10-33(2)32-19)17(12-18(16)25)24(26,27)28;1-9-8-14-11(7-13)15-12(9)10-5-3-2-4-6-10;1-18-3-2-10(17-18)6-4-7(11(19)20)9(13)5-8(6)12(14,15)16;1-9-7-14-11(8-15-17-13)16-12(9)10-5-3-2-4-6-10;1-9-8-14-11(7-13)15-12(9)10-5-3-2-4-6-10;1-2-11-14-8-10(13)12(15-11)9-6-4-3-5-7-9;1-9-7-13-11(8-15)14-12(9)10-5-3-2-4-6-10;;;1-3-2;/h4-13H,3H2,1-2H3,(H,30,34);2-6,8H,7H2,1H3;2-5H,1H3,(H,19,20);2-7H,8H2,1H3;2-6,8H,7,13H2,1H3;3-8H,2,13H2,1H3;2-7,15H,8H2,1H3;2*1H4;;/q;;;;;;;;;-1;+1
• InChIKey: XAMRTAFNKDSZAA-UHFFFAOYSA-N
• XLogP: 20.20
• TPSA: 436.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1897.44
LogP ≤ 5	20.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide?

The IUPAC name of sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide (CID 158225961) is sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide.

What is the SMILES notation for sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide?

The canonical SMILES for sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide is C.C.CCc1ncc(N)c(-c2ccccc2)n1.CCc1ncc(NC(=O)c2cc(-c3ccn(C)n3)c(C(F)(F)F)cc2F)c(-c2ccccc2)n1.Cc1cnc(CCl)nc1-c1ccccc1.Cc1cnc(CN)nc1-c1ccccc1.Cc1cnc(CN=[N+]=[N-])nc1-c1ccccc1.Cc1cnc(CO)nc1-c1ccccc1.Cn1ccc(-c2cc(C(=O)O)c(F)cc2C(F)(F)F)n1.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide?

The InChIKey is XAMRTAFNKDSZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O.C12H11ClN2.C12H8F4N2O2.C12H11N5.2C12H13N3.C12H12N2O.2CH4.N3.Na/c1-3-21-29-13-20(22(31-21)14-7-5-4-6-8-14)30-23(34)16-11-15(19-9-10-33(2)32-19)17(12-18(16)25)24(26,27)28;1-9-8-14-11(7-13)15-12(9)10-5-3-2-4-6-10;1-18-3-2-10(17-18)6-4-7(11(19)20)9(13)5-8(6)12(14,15)16;1-9-7-14-11(8-15-17-13)16-12(9)10-5-3-2-4-6-10;1-9-8-14-11(7-13)15-12(9)10-5-3-2-4-6-10;1-2-11-14-8-10(13)12(15-11)9-6-4-3-5-7-9;1-9-7-13-11(8-15)14-12(9)10-5-3-2-4-6-10;;;1-3-2;/h4-13H,3H2,1-2H3,(H,30,34);2-6,8H,7H2,1H3;2-5H,1H3,(H,19,20);2-7H,8H2,1H3;2-6,8H,7,13H2,1H3;3-8H,2,13H2,1H3;2-7,15H,8H2,1H3;2*1H4;;/q;;;;;;;;;-1;+1.

What are the key properties of sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide?

sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide has a molecular weight of 1897.44 g/mol, XLogP of 20.20, 18 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;2-(azidomethyl)-5-methyl-4-phenylpyrimidine;2-(chloromethyl)-5-methyl-4-phenylpyrimidine;2-ethyl-4-phenylpyrimidin-5-amine;N-(2-ethyl-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide;2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoic acid;methane;(5-methyl-4-phenylpyrimidin-2-yl)methanamine;(5-methyl-4-phenylpyrimidin-2-yl)methanol;azide is sourced from PubChem (CID 158225961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).