2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine

C99H141ClN28O11 — CID 167593855

About 2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine

2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine (PubChem CID 167593855) has the molecular formula C99H141ClN28O11 and a molecular weight of 1934.85 g/mol. Its IUPAC name is 2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine.

Molecular Properties

• Compound Name: 2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine
• PubChem CID: 167593855
• Molecular Formula: C99H141ClN28O11
• Molecular Weight: 1934.85 g/mol
• Exact Mass: 1933.10
• IUPAC Name: 2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(O)cc2)CC1.CCCOc1ccc(N2CCN(CCN(C)c3cc(Cl)nc(N)n3)CC2)cc1.CCCOc1ccc(N2CCN(CCN(C)c3cc(NCC(=O)c4ncco4)nc(N)n3)CC2)cc1.CCCOc1ccc(N2CCN(CCNC)CC2)cc1.CN(CCN1CCN(c2ccc(OCCO)cc2)CC1)c1cc2nc(-c3ncco3)nn2c(N)n1
• InChI: InChI=1S/C25H34N8O3.C23H29N9O3.C20H29ClN6O.C16H27N3O.C15H22N2O3/c1-3-15-35-20-6-4-19(5-7-20)33-13-11-32(12-14-33)10-9-31(2)23-17-22(29-25(26)30-23)28-18-21(34)24-27-8-16-36-24;1-29(19-16-20-26-21(22-25-6-14-35-22)28-32(20)23(24)27-19)7-8-30-9-11-31(12-10-30)17-2-4-18(5-3-17)34-15-13-33;1-3-14-28-17-6-4-16(5-7-17)27-12-10-26(11-13-27)9-8-25(2)19-15-18(21)23-20(22)24-19;1-3-14-20-16-6-4-15(5-7-16)19-12-10-18(11-13-19)9-8-17-2;1-15(2,3)20-14(19)17-10-8-16(9-11-17)12-4-6-13(18)7-5-12/h4-8,16-17H,3,9-15,18H2,1-2H3,(H3,26,28,29,30);2-6,14,16,33H,7-13,15H2,1H3,(H2,24,27);4-7,15H,3,8-14H2,1-2H3,(H2,22,23,24);4-7,17H,3,8-14H2,1-2H3;4-7,18H,8-11H2,1-3H3
• InChIKey: ITZLEUFQCGOFDJ-UHFFFAOYSA-N
• XLogP: 10.41
• TPSA: 411.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 37
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1934.85
LogP ≤ 5	10.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine?

The IUPAC name of 2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine (CID 167593855) is 2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine.

What is the SMILES notation for 2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine?

The canonical SMILES for 2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine is CC(C)(C)OC(=O)N1CCN(c2ccc(O)cc2)CC1.CCCOc1ccc(N2CCN(CCN(C)c3cc(Cl)nc(N)n3)CC2)cc1.CCCOc1ccc(N2CCN(CCN(C)c3cc(NCC(=O)c4ncco4)nc(N)n3)CC2)cc1.CCCOc1ccc(N2CCN(CCNC)CC2)cc1.CN(CCN1CCN(c2ccc(OCCO)cc2)CC1)c1cc2nc(-c3ncco3)nn2c(N)n1.

What is the InChIKey of 2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine?

The InChIKey is ITZLEUFQCGOFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O3.C23H29N9O3.C20H29ClN6O.C16H27N3O.C15H22N2O3/c1-3-15-35-20-6-4-19(5-7-20)33-13-11-32(12-14-33)10-9-31(2)23-17-22(29-25(26)30-23)28-18-21(34)24-27-8-16-36-24;1-29(19-16-20-26-21(22-25-6-14-35-22)28-32(20)23(24)27-19)7-8-30-9-11-31(12-10-30)17-2-4-18(5-3-17)34-15-13-33;1-3-14-28-17-6-4-16(5-7-17)27-12-10-26(11-13-27)9-8-25(2)19-15-18(21)23-20(22)24-19;1-3-14-20-16-6-4-15(5-7-16)19-12-10-18(11-13-19)9-8-17-2;1-15(2,3)20-14(19)17-10-8-16(9-11-17)12-4-6-13(18)7-5-12/h4-8,16-17H,3,9-15,18H2,1-2H3,(H3,26,28,29,30);2-6,14,16,33H,7-13,15H2,1H3,(H2,24,27);4-7,15H,3,8-14H2,1-2H3,(H2,22,23,24);4-7,17H,3,8-14H2,1-2H3;4-7,18H,8-11H2,1-3H3.

What are the key properties of 2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine?

2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine has a molecular weight of 1934.85 g/mol, XLogP of 10.41, 37 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-amino-6-[methyl-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]amino]pyrimidin-4-yl]amino]-1-(1,3-oxazol-2-yl)ethanone;2-[4-[4-[2-[[5-amino-2-(1,3-oxazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-methylamino]ethyl]piperazin-1-yl]phenoxy]ethanol;tert-butyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate;6-chloro-4-N-methyl-4-N-[2-[4-(4-propoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-2,4-diamine;N-methyl-2-[4-(4-propoxyphenyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 167593855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).