6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride

C103H118Cl2F4N28O15 — CID 157315450

About 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride

6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride (PubChem CID 157315450) has the molecular formula C103H118Cl2F4N28O15 and a molecular weight of 2135.16 g/mol. Its IUPAC name is 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride
• PubChem CID: 157315450
• Molecular Formula: C103H118Cl2F4N28O15
• Molecular Weight: 2135.16 g/mol
• Exact Mass: 2132.86
• IUPAC Name: 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4nc(C)oc4c3)n2)c(OC)cc1N(C)CCN(C)C.CO.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2cc(F)c3nc(C)oc3c2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cc(F)c3nc(C)oc3c2)n1.Cc1nc2c(F)cc(-c3ccnc(Cl)n3)cc2o1
• InChI: InChI=1S/C27H30FN7O3.C24H26FN7O4.C24H28FN7O2.C12H7ClFN3O.C12H20N4O3.C3H3ClO.CH4O/c1-7-25(36)31-20-14-21(23(37-6)15-22(20)35(5)11-10-34(3)4)33-27-29-9-8-19(32-27)17-12-18(28)26-24(13-17)38-16(2)30-26;1-14-27-23-16(25)10-15(11-22(23)36-14)17-6-7-26-24(28-17)29-18-12-20(32(33)34)19(13-21(18)35-5)31(4)9-8-30(2)3;1-14-28-23-16(25)10-15(11-22(23)34-14)18-6-7-27-24(29-18)30-19-12-17(26)20(13-21(19)33-5)32(4)9-8-31(2)3;1-6-16-11-8(14)4-7(5-10(11)18-6)9-2-3-15-12(13)17-9;1-14(2)5-6-15(3)10-8-12(19-4)9(13)7-11(10)16(17)18;1-2-3(4)5;1-2/h7-9,12-15H,1,10-11H2,2-6H3,(H,31,36)(H,29,32,33);6-7,10-13H,8-9H2,1-5H3,(H,26,28,29);6-7,10-13H,8-9,26H2,1-5H3,(H,27,29,30);2-5H,1H3;7-8H,5-6,13H2,1-4H3;2H,1H2;2H,1H3
• InChIKey: BDNPJKZNNUSVOD-UHFFFAOYSA-N
• XLogP: 18.18
• TPSA: 510.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 35
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2135.16
LogP ≤ 5	18.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride?

The IUPAC name of 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride (CID 157315450) is 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride.

What is the SMILES notation for 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride?

The canonical SMILES for 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2nccc(-c3cc(F)c4nc(C)oc4c3)n2)c(OC)cc1N(C)CCN(C)C.CO.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-c2cc(F)c3nc(C)oc3c2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1N.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1nccc(-c2cc(F)c3nc(C)oc3c2)n1.Cc1nc2c(F)cc(-c3ccnc(Cl)n3)cc2o1.

What is the InChIKey of 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride?

The InChIKey is BDNPJKZNNUSVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O3.C24H26FN7O4.C24H28FN7O2.C12H7ClFN3O.C12H20N4O3.C3H3ClO.CH4O/c1-7-25(36)31-20-14-21(23(37-6)15-22(20)35(5)11-10-34(3)4)33-27-29-9-8-19(32-27)17-12-18(28)26-24(13-17)38-16(2)30-26;1-14-27-23-16(25)10-15(11-22(23)36-14)17-6-7-26-24(28-17)29-18-12-20(32(33)34)19(13-21(18)35-5)31(4)9-8-30(2)3;1-14-28-23-16(25)10-15(11-22(23)34-14)18-6-7-27-24(29-18)30-19-12-17(26)20(13-21(19)33-5)32(4)9-8-31(2)3;1-6-16-11-8(14)4-7(5-10(11)18-6)9-2-3-15-12(13)17-9;1-14(2)5-6-15(3)10-8-12(19-4)9(13)7-11(10)16(17)18;1-2-3(4)5;1-2/h7-9,12-15H,1,10-11H2,2-6H3,(H,31,36)(H,29,32,33);6-7,10-13H,8-9H2,1-5H3,(H,26,28,29);6-7,10-13H,8-9,26H2,1-5H3,(H,27,29,30);2-5H,1H3;7-8H,5-6,13H2,1-4H3;2H,1H2;2H,1H3.

What are the key properties of 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride?

6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride has a molecular weight of 2135.16 g/mol, XLogP of 18.18, 35 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloropyrimidin-4-yl)-4-fluoro-2-methyl-1,3-benzoxazole;1-N-[2-(dimethylamino)ethyl]-4-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;4-N-[2-(dimethylamino)ethyl]-1-N-[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;methanol;prop-2-enoyl chloride is sourced from PubChem (CID 157315450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).