5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride

C87H123Cl5FN27O14 — CID 157336298

About 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride

5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride (PubChem CID 157336298) has the molecular formula C87H123Cl5FN27O14 and a molecular weight of 1967.38 g/mol. Its IUPAC name is 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride
• PubChem CID: 157336298
• Molecular Formula: C87H123Cl5FN27O14
• Molecular Weight: 1967.38 g/mol
• Exact Mass: 1963.82
• IUPAC Name: 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride
• SMILES: C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(N3CCOCC3)n2)c(OC)cc1N(C)CCN(C)C.CCCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(N2CCOCC2)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncc(Cl)c(N2CCOCC2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(N2CCOCC2)n1
• InChI: InChI=1S/C23H32ClN7O3.C20H28ClN7O4.C20H30ClN7O2.C15H15ClFN5O4.C6H15N.C3H3ClO/c1-6-21(32)26-17-13-18(20(33-5)14-19(17)30(4)8-7-29(2)3)27-23-25-15-16(24)22(28-23)31-9-11-34-12-10-31;1-25(2)5-6-26(3)16-12-18(31-4)15(11-17(16)28(29)30)23-20-22-13-14(21)19(24-20)27-7-9-32-10-8-27;1-26(2)5-6-27(3)17-12-18(29-4)16(11-15(17)22)24-20-23-13-14(21)19(25-20)28-7-9-30-10-8-28;1-25-13-6-10(17)12(22(23)24)7-11(13)19-15-18-8-9(16)14(20-15)21-2-4-26-5-3-21;1-4-5-6-7(2)3;1-2-3(4)5/h6,13-15H,1,7-12H2,2-5H3,(H,26,32)(H,25,27,28);11-13H,5-10H2,1-4H3,(H,22,23,24);11-13H,5-10,22H2,1-4H3,(H,23,24,25);6-8H,2-5H2,1H3,(H,18,19,20);4-6H2,1-3H3;2H,1H2
• InChIKey: BFWLKYJJJORTCG-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 419.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 36
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1967.38
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

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 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride?

The IUPAC name of 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride (CID 157336298) is 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride.

What is the SMILES notation for 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride?

The canonical SMILES for 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncc(Cl)c(N3CCOCC3)n2)c(OC)cc1N(C)CCN(C)C.CCCCN(C)C.COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(N2CCOCC2)n1.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncc(Cl)c(N2CCOCC2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(N2CCOCC2)n1.

What is the InChIKey of 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride?

The InChIKey is BFWLKYJJJORTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN7O3.C20H28ClN7O4.C20H30ClN7O2.C15H15ClFN5O4.C6H15N.C3H3ClO/c1-6-21(32)26-17-13-18(20(33-5)14-19(17)30(4)8-7-29(2)3)27-23-25-15-16(24)22(28-23)31-9-11-34-12-10-31;1-25(2)5-6-26(3)16-12-18(31-4)15(11-17(16)28(29)30)23-20-22-13-14(21)19(24-20)27-7-9-32-10-8-27;1-26(2)5-6-27(3)17-12-18(29-4)16(11-15(17)22)24-20-23-13-14(21)19(25-20)28-7-9-30-10-8-28;1-25-13-6-10(17)12(22(23)24)7-11(13)19-15-18-8-9(16)14(20-15)21-2-4-26-5-3-21;1-4-5-6-7(2)3;1-2-3(4)5/h6,13-15H,1,7-12H2,2-5H3,(H,26,32)(H,25,27,28);11-13H,5-10H2,1-4H3,(H,22,23,24);11-13H,5-10,22H2,1-4H3,(H,23,24,25);6-8H,2-5H2,1H3,(H,18,19,20);4-6H2,1-3H3;2H,1H2.

What are the key properties of 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride?

5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride has a molecular weight of 1967.38 g/mol, XLogP of 12.82, 36 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(4-fluoro-2-methoxy-5-nitrophenyl)-4-morpholin-4-ylpyrimidin-2-amine;N-[5-[(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;4-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine;1-N-(5-chloro-4-morpholin-4-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine;N,N-dimethylbutan-1-amine;prop-2-enoyl chloride is sourced from PubChem (CID 157336298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).