1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride

C79H103ClN24O10 — CID 159068909

About 1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride

1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride (PubChem CID 159068909) has the molecular formula C79H103ClN24O10 and a molecular weight of 1584.30 g/mol. Its IUPAC name is 1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride
• PubChem CID: 159068909
• Molecular Formula: C79H103ClN24O10
• Molecular Weight: 1584.30 g/mol
• Exact Mass: 1582.80
• IUPAC Name: 1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride
• SMILES: C.C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(Nc3ccccc3C3(O)CC3)n2)c(OC)cc1N(C)CCN(C)C.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2ccccc2C2(O)CC2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccccc2C2(O)CC2)n1
• InChI: InChI=1S/C27H34N8O3.C24H30N8O4.C24H32N8O2.C3H3ClO.CH4/c1-6-24(36)30-20-15-21(23(38-5)16-22(20)35(4)14-13-34(2)3)32-26-29-17-28-25(33-26)31-19-10-8-7-9-18(19)27(37)11-12-27;1-30(2)11-12-31(3)19-14-21(36-4)18(13-20(19)32(34)35)28-23-26-15-25-22(29-23)27-17-8-6-5-7-16(17)24(33)9-10-24;1-31(2)11-12-32(3)20-14-21(34-4)19(13-17(20)25)29-23-27-15-26-22(30-23)28-18-8-6-5-7-16(18)24(33)9-10-24;1-2-3(4)5;/h6-10,15-17,37H,1,11-14H2,2-5H3,(H,30,36)(H2,28,29,31,32,33);5-8,13-15,33H,9-12H2,1-4H3,(H2,25,26,27,28,29);5-8,13-15,33H,9-12,25H2,1-4H3,(H2,26,27,28,29,30);2H,1H2;1H4
• InChIKey: JZJZRBSBKIXDPV-UHFFFAOYSA-N
• XLogP: 11.23
• TPSA: 411.34 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1584.30
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

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 1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride?

The IUPAC name of 1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride (CID 159068909) is 1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride.

What is the SMILES notation for 1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride?

The canonical SMILES for 1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride is C.C=CC(=O)Cl.C=CC(=O)Nc1cc(Nc2ncnc(Nc3ccccc3C3(O)CC3)n2)c(OC)cc1N(C)CCN(C)C.COc1cc(N(C)CCN(C)C)c(N)cc1Nc1ncnc(Nc2ccccc2C2(O)CC2)n1.COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncnc(Nc2ccccc2C2(O)CC2)n1.

What is the InChIKey of 1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride?

The InChIKey is JZJZRBSBKIXDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O3.C24H30N8O4.C24H32N8O2.C3H3ClO.CH4/c1-6-24(36)30-20-15-21(23(38-5)16-22(20)35(4)14-13-34(2)3)32-26-29-17-28-25(33-26)31-19-10-8-7-9-18(19)27(37)11-12-27;1-30(2)11-12-31(3)19-14-21(36-4)18(13-20(19)32(34)35)28-23-26-15-25-22(29-23)27-17-8-6-5-7-16(17)24(33)9-10-24;1-31(2)11-12-32(3)20-14-21(34-4)19(13-17(20)25)29-23-27-15-26-22(30-23)28-18-8-6-5-7-16(18)24(33)9-10-24;1-2-3(4)5;/h6-10,15-17,37H,1,11-14H2,2-5H3,(H,30,36)(H2,28,29,31,32,33);5-8,13-15,33H,9-12H2,1-4H3,(H2,25,26,27,28,29);5-8,13-15,33H,9-12,25H2,1-4H3,(H2,26,27,28,29,30);2H,1H2;1H4.

What are the key properties of 1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride?

1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride has a molecular weight of 1584.30 g/mol, XLogP of 11.23, 34 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[4-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[2-(1-hydroxycyclopropyl)anilino]-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;1-[2-[[4-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-nitroanilino]-1,3,5-triazin-2-yl]amino]phenyl]cyclopropan-1-ol;methane;prop-2-enoyl chloride is sourced from PubChem (CID 159068909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).