2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

C80H98F2N12O3 — CID 159570767

IUPAC2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCC1NCCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)C1C.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(OC)c3)n2)c1)C1CCNCC1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O
InChIInChI=1S/C28H36N4O.C26H30F2N4.C26H32N4O2/c1-3-32(25-13-16-29-17-14-25)21-23-9-4-10-24(19-23)27-15-18-30-28(31-27)12-6-8-22-7-5-11-26(20-22)33-2;1-18-19(2)32(12-11-29-18)17-21-6-3-7-22(13-21)25-9-10-30-26(31-25)8-4-5-20-14-23(27)16-24(28)15-20;1-19-17-27-13-14-30(19)18-21-6-3-7-22(15-21)23-11-12-28-26(29-23)8-4-5-20-9-10-25(32-2)24(31)16-20/h4-5,7,9-11,15,18-20,25,29H,3,6,8,12-14,16-17,21H2,1-2H3;3,6-7,9-10,13-16,18-19,29H,4-5,8,11-12,17H2,1-2H3;3,6-7,9-12,15-16,19,27,31H,4-5,8,13-14,17-18H2,1-2H3/t;;19-/m..0/s1
InChIKeyMHTZJKPIPPHRBO-OKUOIOCTSA-N
MW1313.74 g/mol
LogP13.51
Rot. Bonds25

About 2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol

2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 159570767) has the molecular formula C80H98F2N12O3 and a molecular weight of 1313.74 g/mol. Its IUPAC name is 2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID159570767
Molecular FormulaC80H98F2N12O3
Molecular Weight1313.74 g/mol
Exact Mass1312.79
IUPAC Name2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCC1NCCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)C1C.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(OC)c3)n2)c1)C1CCNCC1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O
InChIInChI=1S/C28H36N4O.C26H30F2N4.C26H32N4O2/c1-3-32(25-13-16-29-17-14-25)21-23-9-4-10-24(19-23)27-15-18-30-28(31-27)12-6-8-22-7-5-11-26(20-22)33-2;1-18-19(2)32(12-11-29-18)17-21-6-3-7-22(13-21)25-9-10-30-26(31-25)8-4-5-20-14-23(27)16-24(28)15-20;1-19-17-27-13-14-30(19)18-21-6-3-7-22(15-21)23-11-12-28-26(29-23)8-4-5-20-9-10-25(32-2)24(31)16-20/h4-5,7,9-11,15,18-20,25,29H,3,6,8,12-14,16-17,21H2,1-2H3;3,6-7,9-10,13-16,18-19,29H,4-5,8,11-12,17H2,1-2H3;3,6-7,9-12,15-16,19,27,31H,4-5,8,13-14,17-18H2,1-2H3/t;;19-/m..0/s1
InChIKeyMHTZJKPIPPHRBO-OKUOIOCTSA-N
XLogP13.51
TPSA161.84 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001313.74
LogP ≤ 513.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol with MolForge

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Related Compounds

2-Methoxy-6-[[3-(5-phenyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methyl]phenol
CID 45166254
2-Methoxy-4-({3-[5-phenyl-2-(4-pyridinyl)-4-pyrimidinyl]-1-piperidinyl}methyl)phenol
CID 45166089
2-Methoxy-4-[6-(1-pyridin-3-ylbutylamino)pyrimidin-4-yl]phenol
CID 135540481
N-[[3-[5-fluoro-2-[3-(4-hydroxy-3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-piperidin-4-ylmethanesulfonamide
CID 58199748
5-[3-[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol
CID 58199806
5-[3-[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol
CID 58199834
[5-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]-2-hydroxyphenyl] sulfamate
CID 58199844
[4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]-2-hydroxyphenyl] sulfamate
CID 58199879
5-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]-2-methoxyphenol
CID 58199932
5-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol
CID 58603609
5-[2-[[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol
CID 58603659
5-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]-2-methoxyphenol
CID 58603681

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol (CID 159570767) is 2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is CC1NCCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)C1C.CCN(Cc1cccc(-c2ccnc(CCCc3cccc(OC)c3)n2)c1)C1CCNCC1.COc1ccc(CCCc2nccc(-c3cccc(CN4CCNC[C@@H]4C)c3)n2)cc1O.
What is the InChIKey of 2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is MHTZJKPIPPHRBO-OKUOIOCTSA-N. The full InChI is InChI=1S/C28H36N4O.C26H30F2N4.C26H32N4O2/c1-3-32(25-13-16-29-17-14-25)21-23-9-4-10-24(19-23)27-15-18-30-28(31-27)12-6-8-22-7-5-11-26(20-22)33-2;1-18-19(2)32(12-11-29-18)17-21-6-3-7-22(13-21)25-9-10-30-26(31-25)8-4-5-20-14-23(27)16-24(28)15-20;1-19-17-27-13-14-30(19)18-21-6-3-7-22(15-21)23-11-12-28-26(29-23)8-4-5-20-9-10-25(32-2)24(31)16-20/h4-5,7,9-11,15,18-20,25,29H,3,6,8,12-14,16-17,21H2,1-2H3;3,6-7,9-10,13-16,18-19,29H,4-5,8,11-12,17H2,1-2H3;3,6-7,9-12,15-16,19,27,31H,4-5,8,13-14,17-18H2,1-2H3/t;;19-/m..0/s1.
What are the key properties of 2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol?
2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 1313.74 g/mol, XLogP of 13.51, 25 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-difluorophenyl)propyl]-4-[3-[(2,3-dimethylpiperazin-1-yl)methyl]phenyl]pyrimidine;N-ethyl-N-[[3-[2-[3-(3-methoxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]piperidin-4-amine;2-methoxy-5-[3-[4-[3-[[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 159570767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).