4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol

C126H153Cl2N19O21 — CID 159670234

About 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol

4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol (PubChem CID 159670234) has the molecular formula C126H153Cl2N19O21 and a molecular weight of 2340.63 g/mol. Its IUPAC name is 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol.

Molecular Properties

• Compound Name: 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol
• PubChem CID: 159670234
• Molecular Formula: C126H153Cl2N19O21
• Molecular Weight: 2340.63 g/mol
• Exact Mass: 2338.09
• IUPAC Name: 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol
• SMILES: CC1CCCC(C)N1CC(O)c1ccc(O)cc1.COc1cc(NCC(O)c2ccc(O)cc2)ncn1.Cc1cc(C)cc(CNCC(O)c2ccc(O)cc2)c1.Cc1cc(C)nc(NCC(O)c2ccc(O)cc2)n1.Cc1ccccc1NCC(O)c1ccc(O)cc1.O=[N+]([O-])c1ccc(NCC(O)c2ccc(O)cc2)nc1.Oc1ccc(C(O)CNCCN2CCCC2)cc1.Oc1ccc(C(O)CNc2ccccn2)cc1.Oc1ccc(C(O)CNc2nc(Cl)cc(Cl)n2)cc1
• InChI: InChI=1S/C17H21NO2.C15H23NO2.C15H17NO2.C14H17N3O2.C14H22N2O2.C13H13N3O4.C13H15N3O3.C13H14N2O2.C12H11Cl2N3O2/c1-12-7-13(2)9-14(8-12)10-18-11-17(20)15-3-5-16(19)6-4-15;1-11-4-3-5-12(2)16(11)10-15(18)13-6-8-14(17)9-7-13;1-11-4-2-3-5-14(11)16-10-15(18)12-6-8-13(17)9-7-12;1-9-7-10(2)17-14(16-9)15-8-13(19)11-3-5-12(18)6-4-11;17-13-5-3-12(4-6-13)14(18)11-15-7-10-16-8-1-2-9-16;17-11-4-1-9(2-5-11)12(18)8-15-13-6-3-10(7-14-13)16(19)20;1-19-13-6-12(15-8-16-13)14-7-11(18)9-2-4-10(17)5-3-9;16-11-6-4-10(5-7-11)12(17)9-15-13-3-1-2-8-14-13;13-10-5-11(14)17-12(16-10)15-6-9(19)7-1-3-8(18)4-2-7/h3-9,17-20H,10-11H2,1-2H3;6-9,11-12,15,17-18H,3-5,10H2,1-2H3;2-9,15-18H,10H2,1H3;3-7,13,18-19H,8H2,1-2H3,(H,15,16,17);3-6,14-15,17-18H,1-2,7-11H2;1-7,12,17-18H,8H2,(H,14,15);2-6,8,11,17-18H,7H2,1H3,(H,14,15,16);1-8,12,16-17H,9H2,(H,14,15);1-5,9,18-19H,6H2,(H,15,16,17)
• InChIKey: MTXFZLOMJOAWEE-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 622.35 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 39
• Rotatable Bonds: 40
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2340.63
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	26
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol?

The IUPAC name of 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol (CID 159670234) is 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol.

What is the SMILES notation for 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol?

The canonical SMILES for 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol is CC1CCCC(C)N1CC(O)c1ccc(O)cc1.COc1cc(NCC(O)c2ccc(O)cc2)ncn1.Cc1cc(C)cc(CNCC(O)c2ccc(O)cc2)c1.Cc1cc(C)nc(NCC(O)c2ccc(O)cc2)n1.Cc1ccccc1NCC(O)c1ccc(O)cc1.O=[N+]([O-])c1ccc(NCC(O)c2ccc(O)cc2)nc1.Oc1ccc(C(O)CNCCN2CCCC2)cc1.Oc1ccc(C(O)CNc2ccccn2)cc1.Oc1ccc(C(O)CNc2nc(Cl)cc(Cl)n2)cc1.

What is the InChIKey of 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol?

The InChIKey is MTXFZLOMJOAWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.C15H23NO2.C15H17NO2.C14H17N3O2.C14H22N2O2.C13H13N3O4.C13H15N3O3.C13H14N2O2.C12H11Cl2N3O2/c1-12-7-13(2)9-14(8-12)10-18-11-17(20)15-3-5-16(19)6-4-15;1-11-4-3-5-12(2)16(11)10-15(18)13-6-8-14(17)9-7-13;1-11-4-2-3-5-14(11)16-10-15(18)12-6-8-13(17)9-7-12;1-9-7-10(2)17-14(16-9)15-8-13(19)11-3-5-12(18)6-4-11;17-13-5-3-12(4-6-13)14(18)11-15-7-10-16-8-1-2-9-16;17-11-4-1-9(2-5-11)12(18)8-15-13-6-3-10(7-14-13)16(19)20;1-19-13-6-12(15-8-16-13)14-7-11(18)9-2-4-10(17)5-3-9;16-11-6-4-10(5-7-11)12(17)9-15-13-3-1-2-8-14-13;13-10-5-11(14)17-12(16-10)15-6-9(19)7-1-3-8(18)4-2-7/h3-9,17-20H,10-11H2,1-2H3;6-9,11-12,15,17-18H,3-5,10H2,1-2H3;2-9,15-18H,10H2,1H3;3-7,13,18-19H,8H2,1-2H3,(H,15,16,17);3-6,14-15,17-18H,1-2,7-11H2;1-7,12,17-18H,8H2,(H,14,15);2-6,8,11,17-18H,7H2,1H3,(H,14,15,16);1-8,12,16-17H,9H2,(H,14,15);1-5,9,18-19H,6H2,(H,15,16,17).

What are the key properties of 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol?

4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol has a molecular weight of 2340.63 g/mol, XLogP of 19.17, 40 rotatable bonds, 26 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(4,6-dichloropyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[2-[(3,5-dimethylphenyl)methylamino]-1-hydroxyethyl]phenol;4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenol;4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxyethyl]phenol;4-[1-hydroxy-2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol;4-[1-hydroxy-2-(2-methylanilino)ethyl]phenol;4-[1-hydroxy-2-[(5-nitro-2-pyridinyl)amino]ethyl]phenol;4-[1-hydroxy-2-(pyridin-2-ylamino)ethyl]phenol;4-[1-hydroxy-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenol is sourced from PubChem (CID 159670234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).