2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

C151H172Cl2F4N24O8S — CID 157424204

About 2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 157424204) has the molecular formula C151H172Cl2F4N24O8S and a molecular weight of 2632.17 g/mol. Its IUPAC name is 2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

• Compound Name: 2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
• PubChem CID: 157424204
• Molecular Formula: C151H172Cl2F4N24O8S
• Molecular Weight: 2632.17 g/mol
• Exact Mass: 2629.29
• IUPAC Name: 2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
• SMILES: COc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(CCCc2ccc(O)c(Cl)c2)n1.COc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(CCCc2ccc(O)cc2)n1.C[C@H]1CNCCN1Cc1cncc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.Fc1cc(F)cc(CCCc2nccc(-c3cccc(CN4CC5CC4CN5)c3)n2)c1.O=S1(=O)CCCCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.[2H]C([2H])(CCc1nccc(-c2cccc(CN3CC4CC3CN4)c2)n1)c1cc(F)cc(F)c1
• InChI: InChI=1S/C26H31ClN4O2.C26H32N4O2.2C25H26F2N4.C25H29N3O3S.C24H28ClN5O/c1-18-16-28-12-13-31(18)17-20-7-9-25(33-2)21(14-20)23-10-11-29-26(30-23)5-3-4-19-6-8-24(32)22(27)15-19;1-19-17-27-14-15-30(19)18-21-8-11-25(32-2)23(16-21)24-12-13-28-26(29-24)5-3-4-20-6-9-22(31)10-7-20;2*26-20-10-17(11-21(27)12-20)3-2-6-25-28-8-7-24(30-25)19-5-1-4-18(9-19)15-31-16-22-13-23(31)14-29-22;29-23-12-10-20(11-13-23)6-5-9-25-26-15-14-24(27-25)22-8-4-7-21(18-22)19-28-16-2-1-3-17-32(28,30)31;1-17-13-26-9-10-30(17)16-19-11-20(15-27-14-19)22-7-8-28-24(29-22)4-2-3-18-5-6-23(31)21(25)12-18/h6-11,14-15,18,28,32H,3-5,12-13,16-17H2,1-2H3;6-13,16,19,27,31H,3-5,14-15,17-18H2,1-2H3;2*1,4-5,7-12,22-23,29H,2-3,6,13-16H2;4,7-8,10-15,18,29H,1-3,5-6,9,16-17,19H2;5-8,11-12,14-15,17,26,31H,2-4,9-10,13,16H2,1H3/t18-;19-;;;;17-/m00...0/s1/i;;3D2
• InChIKey: BPTQNZCSZQZAIQ-NBOASLMUSA-N
• XLogP: 24.80
• TPSA: 380.68 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 44
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2632.17
LogP ≤ 5	24.80
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

The IUPAC name of 2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 157424204) is 2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

What is the SMILES notation for 2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

The canonical SMILES for 2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is COc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(CCCc2ccc(O)c(Cl)c2)n1.COc1ccc(CN2CCNC[C@@H]2C)cc1-c1ccnc(CCCc2ccc(O)cc2)n1.C[C@H]1CNCCN1Cc1cncc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.Fc1cc(F)cc(CCCc2nccc(-c3cccc(CN4CC5CC4CN5)c3)n2)c1.O=S1(=O)CCCCCN1Cc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.[2H]C([2H])(CCc1nccc(-c2cccc(CN3CC4CC3CN4)c2)n1)c1cc(F)cc(F)c1.

What is the InChIKey of 2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

The InChIKey is BPTQNZCSZQZAIQ-NBOASLMUSA-N. The full InChI is InChI=1S/C26H31ClN4O2.C26H32N4O2.2C25H26F2N4.C25H29N3O3S.C24H28ClN5O/c1-18-16-28-12-13-31(18)17-20-7-9-25(33-2)21(14-20)23-10-11-29-26(30-23)5-3-4-19-6-8-24(32)22(27)15-19;1-19-17-27-14-15-30(19)18-21-8-11-25(32-2)23(16-21)24-12-13-28-26(29-24)5-3-4-20-6-9-22(31)10-7-20;2*26-20-10-17(11-21(27)12-20)3-2-6-25-28-8-7-24(30-25)19-5-1-4-18(9-19)15-31-16-22-13-23(31)14-29-22;29-23-12-10-20(11-13-23)6-5-9-25-26-15-14-24(27-25)22-8-4-7-21(18-22)19-28-16-2-1-3-17-32(28,30)31;1-17-13-26-9-10-30(17)16-19-11-20(15-27-14-19)22-7-8-28-24(29-22)4-2-3-18-5-6-23(31)21(25)12-18/h6-11,14-15,18,28,32H,3-5,12-13,16-17H2,1-2H3;6-13,16,19,27,31H,3-5,14-15,17-18H2,1-2H3;2*1,4-5,7-12,22-23,29H,2-3,6,13-16H2;4,7-8,10-15,18,29H,1-3,5-6,9,16-17,19H2;5-8,11-12,14-15,17,26,31H,2-4,9-10,13,16H2,1H3/t18-;19-;;;;17-/m00...0/s1/i;;3D2;;;.

What are the key properties of 2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?

2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 2632.17 g/mol, XLogP of 24.80, 44 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[3-[4-[5-[[(2S)-2-methylpiperazin-1-yl]methyl]-3-pyridinyl]pyrimidin-2-yl]propyl]phenol;2-[[3-[2-[3,3-dideuterio-3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;2-[[3-[2-[3-(3,5-difluorophenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane;4-[3-[4-[3-[(1,1-dioxothiazepan-2-yl)methyl]phenyl]pyrimidin-2-yl]propyl]phenol;4-[3-[4-[2-methoxy-5-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 157424204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).