2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol

C160H179N33O13S7 — CID 158369238

About 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol

2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol (PubChem CID 158369238) has the molecular formula C160H179N33O13S7 and a molecular weight of 2996.88 g/mol. Its IUPAC name is 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol.

Molecular Properties

• Compound Name: 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol
• PubChem CID: 158369238
• Molecular Formula: C160H179N33O13S7
• Molecular Weight: 2996.88 g/mol
• Exact Mass: 2994.24
• IUPAC Name: 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol
• SMILES: CN1CCN(c2ncc(Sc3ccc(C=O)cc3)c(OCc3ccccc3)n2)CC1.CN1CCN(c2ncc(Sc3ccc(N)cc3)c(OCc3ccccc3)n2)CC1.CN1CCN(c2ncc(Sc3ccc(N)cc3)c(OCc3ccccc3)n2)CC1.CN1CCN(c2ncc(Sc3ccc(NC(=O)CN)cc3)c(OCc3ccccc3)n2)CC1.CN1CCN(c2ncc(Sc3ccc(O)cc3)c(OCc3ccccc3)n2)CC1.COC(=O)c1ccc(Sc2cnc(N3CCN(C)CC3)nc2OCc2ccccc2)cc1.COc1ccc(Sc2cnc(N3CCN(C)CC3)nc2OCc2ccccc2)cc1N
• InChI: InChI=1S/C24H28N6O2S.C24H26N4O3S.C23H27N5O2S.C23H24N4O2S.2C22H25N5OS.C22H24N4O2S/c1-29-11-13-30(14-12-29)24-26-16-21(23(28-24)32-17-18-5-3-2-4-6-18)33-20-9-7-19(8-10-20)27-22(31)15-25;1-27-12-14-28(15-13-27)24-25-16-21(22(26-24)31-17-18-6-4-3-5-7-18)32-20-10-8-19(9-11-20)23(29)30-2;1-27-10-12-28(13-11-27)23-25-15-21(31-18-8-9-20(29-2)19(24)14-18)22(26-23)30-16-17-6-4-3-5-7-17;1-26-11-13-27(14-12-26)23-24-15-21(30-20-9-7-18(16-28)8-10-20)22(25-23)29-17-19-5-3-2-4-6-19;2*1-26-11-13-27(14-12-26)22-24-15-20(29-19-9-7-18(23)8-10-19)21(25-22)28-16-17-5-3-2-4-6-17;1-25-11-13-26(14-12-25)22-23-15-20(29-19-9-7-18(27)8-10-19)21(24-22)28-16-17-5-3-2-4-6-17/h2-10,16H,11-15,17,25H2,1H3,(H,27,31);3-11,16H,12-15,17H2,1-2H3;3-9,14-15H,10-13,16,24H2,1-2H3;2-10,15-16H,11-14,17H2,1H3;2*2-10,15H,11-14,16,23H2,1H3;2-10,15,27H,11-14,16H2,1H3
• InChIKey: GUKHFDBTUOKDAU-UHFFFAOYSA-N
• XLogP: 24.67
• TPSA: 496.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 52
• Rotatable Bonds: 47
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2996.88
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol?

The IUPAC name of 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol (CID 158369238) is 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol.

What is the SMILES notation for 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol?

The canonical SMILES for 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol is CN1CCN(c2ncc(Sc3ccc(C=O)cc3)c(OCc3ccccc3)n2)CC1.CN1CCN(c2ncc(Sc3ccc(N)cc3)c(OCc3ccccc3)n2)CC1.CN1CCN(c2ncc(Sc3ccc(N)cc3)c(OCc3ccccc3)n2)CC1.CN1CCN(c2ncc(Sc3ccc(NC(=O)CN)cc3)c(OCc3ccccc3)n2)CC1.CN1CCN(c2ncc(Sc3ccc(O)cc3)c(OCc3ccccc3)n2)CC1.COC(=O)c1ccc(Sc2cnc(N3CCN(C)CC3)nc2OCc2ccccc2)cc1.COc1ccc(Sc2cnc(N3CCN(C)CC3)nc2OCc2ccccc2)cc1N.

What is the InChIKey of 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol?

The InChIKey is GUKHFDBTUOKDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S.C24H26N4O3S.C23H27N5O2S.C23H24N4O2S.2C22H25N5OS.C22H24N4O2S/c1-29-11-13-30(14-12-29)24-26-16-21(23(28-24)32-17-18-5-3-2-4-6-18)33-20-9-7-19(8-10-20)27-22(31)15-25;1-27-12-14-28(15-13-27)24-25-16-21(22(26-24)31-17-18-6-4-3-5-7-18)32-20-10-8-19(9-11-20)23(29)30-2;1-27-10-12-28(13-11-27)23-25-15-21(31-18-8-9-20(29-2)19(24)14-18)22(26-23)30-16-17-6-4-3-5-7-17;1-26-11-13-27(14-12-26)23-24-15-21(30-20-9-7-18(16-28)8-10-20)22(25-23)29-17-19-5-3-2-4-6-19;2*1-26-11-13-27(14-12-26)22-24-15-20(29-19-9-7-18(23)8-10-19)21(25-22)28-16-17-5-3-2-4-6-17;1-25-11-13-26(14-12-25)22-23-15-20(29-19-9-7-18(27)8-10-19)21(24-22)28-16-17-5-3-2-4-6-17/h2-10,16H,11-15,17,25H2,1H3,(H,27,31);3-11,16H,12-15,17H2,1-2H3;3-9,14-15H,10-13,16,24H2,1-2H3;2-10,15-16H,11-14,17H2,1H3;2*2-10,15H,11-14,16,23H2,1H3;2-10,15,27H,11-14,16H2,1H3.

What are the key properties of 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol?

2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol has a molecular weight of 2996.88 g/mol, XLogP of 24.67, 47 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenyl]acetamide;2-methoxy-5-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline;methyl 4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzoate;bis(4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylaniline);4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylbenzaldehyde;4-[2-(4-methylpiperazin-1-yl)-4-phenylmethoxypyrimidin-5-yl]sulfanylphenol is sourced from PubChem (CID 158369238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).