2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol

C100H116Cl2F2N10O3 — CID 161480073

IUPAC2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CC(C)CCc1cccc(-c2ccnc(CCc3ccc(O)c(Cl)c3)n2)c1.CCN1CCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)C1
InChIInChI=1S/C27H32F2N4.C25H29ClN2O.C25H30N2O.C23H25ClN2O/c1-3-32-12-13-33(20(2)18-32)19-22-7-4-8-23(14-22)26-10-11-30-27(31-26)9-5-6-21-15-24(28)17-25(29)16-21;1-25(2,3)14-12-19-6-4-8-20(16-19)22-13-15-27-24(28-22)9-5-7-18-10-11-23(29)21(26)17-18;1-25(2,3)16-14-20-7-4-8-21(18-20)23-15-17-26-24(27-23)9-5-6-19-10-12-22(28)13-11-19;1-16(2)6-7-17-4-3-5-19(14-17)21-12-13-25-23(26-21)11-9-18-8-10-22(27)20(24)15-18/h4,7-8,10-11,14-17,20H,3,5-6,9,12-13,18-19H2,1-2H3;4,6,8,10-11,13,15-17,29H,5,7,9,12,14H2,1-3H3;4,7-8,10-13,15,17-18,28H,5-6,9,14,16H2,1-3H3;3-5,8,10,12-16,27H,6-7,9,11H2,1-2H3/t20-;;;/m0.../s1
InChIKeyWEFWIWMWXJALTP-MLQCRBJCSA-N
MW1615.00 g/mol
LogP23.66
Rot. Bonds29

About 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol

2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol (PubChem CID 161480073) has the molecular formula C100H116Cl2F2N10O3 and a molecular weight of 1615.00 g/mol. Its IUPAC name is 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol.

Molecular Properties

Compound Name2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol
PubChem CID161480073
Molecular FormulaC100H116Cl2F2N10O3
Molecular Weight1615.00 g/mol
Exact Mass1612.86
IUPAC Name2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol
SMILESCC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CC(C)CCc1cccc(-c2ccnc(CCc3ccc(O)c(Cl)c3)n2)c1.CCN1CCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)C1
InChIInChI=1S/C27H32F2N4.C25H29ClN2O.C25H30N2O.C23H25ClN2O/c1-3-32-12-13-33(20(2)18-32)19-22-7-4-8-23(14-22)26-10-11-30-27(31-26)9-5-6-21-15-24(28)17-25(29)16-21;1-25(2,3)14-12-19-6-4-8-20(16-19)22-13-15-27-24(28-22)9-5-7-18-10-11-23(29)21(26)17-18;1-25(2,3)16-14-20-7-4-8-21(18-20)23-15-17-26-24(27-23)9-5-6-19-10-12-22(28)13-11-19;1-16(2)6-7-17-4-3-5-19(14-17)21-12-13-25-23(26-21)11-9-18-8-10-22(27)20(24)15-18/h4,7-8,10-11,14-17,20H,3,5-6,9,12-13,18-19H2,1-2H3;4,6,8,10-11,13,15-17,29H,5,7,9,12,14H2,1-3H3;4,7-8,10-13,15,17-18,28H,5-6,9,14,16H2,1-3H3;3-5,8,10,12-16,27H,6-7,9,11H2,1-2H3/t20-;;;/m0.../s1
InChIKeyWEFWIWMWXJALTP-MLQCRBJCSA-N
XLogP23.66
TPSA170.29 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001615.00
LogP ≤ 523.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[3-[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol
CID 58199577
2-chloro-4-[3-[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]propyl]phenol
CID 58199950
2-chloro-4-[2-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 58603426
2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 58603480
2-chloro-4-[2-[[4-[5-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]-[[4-[5-[[(2S,5S)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]-[2-(4-hydroxyphenyl)ethyl]amino]methyl]-2-fluorophenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292563
4-[2-[[4-[3-[[[4-[5-[[(2R,5R)-2,5-dimethylpiperazin-1-yl]methyl]-2-fluorophenyl]pyrimidin-2-yl]-[2-(4-hydroxyphenyl)ethyl]amino]-piperazin-1-ylmethyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292662
4-[2-[[[3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]phenyl]-(2-ethyl-4-methylpiperazin-1-yl)methyl]-[4-[3-[[(3R)-3-phenylpiperazin-1-yl]methyl]phenyl]pyrimidin-2-yl]amino]ethyl]phenol
CID 139292877
2-chloro-4-[2-[[4-[3-[[2-(3,5-difluorophenyl)ethyl-[4-[3-[[ethyl-[[(3S)-piperidin-3-yl]methyl]amino]methyl]phenyl]pyrimidin-2-yl]amino]-[(2S)-2-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyrimidin-2-yl]amino]ethyl]phenol
CID 139292879
N-[[3-[2-[2-(3-chloro-4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 155479031
N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-ylpyridine-4-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-4-(trifluoromethyl)pyridine-3-carboxamide;N-[[3-[2-[3-(3-chloro-4-hydroxyphenyl)propyl]pyrimidin-4-yl]phenyl]methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 157602868
4-(3-Bromo-6-methyl-2-pyridinyl)-2-methylphenol;4-(3-chloro-6-methyl-2-pyridinyl)-2-methylphenol;4-(6-ethyl-2-pyridinyl)-2-(trifluoromethyl)phenol;4-(4-ethylpyrimidin-2-yl)-2-methylphenol;4-(4-methylpyrimidin-2-yl)-2-(trifluoromethyl)phenol
CID 161418706
6-chloro-7-[5-(1,1-difluoroethyl)-2-fluorophenyl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,4-dimethyl-6-propan-2-ylpyrimidin-5-yl)-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 161938151

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol?
The IUPAC name of 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol (CID 161480073) is 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol.
What is the SMILES notation for 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol?
The canonical SMILES for 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol is CC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)c(Cl)c3)n2)c1.CC(C)(C)CCc1cccc(-c2ccnc(CCCc3ccc(O)cc3)n2)c1.CC(C)CCc1cccc(-c2ccnc(CCc3ccc(O)c(Cl)c3)n2)c1.CCN1CCN(Cc2cccc(-c3ccnc(CCCc4cc(F)cc(F)c4)n3)c2)[C@@H](C)C1.
What is the InChIKey of 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol?
The InChIKey is WEFWIWMWXJALTP-MLQCRBJCSA-N. The full InChI is InChI=1S/C27H32F2N4.C25H29ClN2O.C25H30N2O.C23H25ClN2O/c1-3-32-12-13-33(20(2)18-32)19-22-7-4-8-23(14-22)26-10-11-30-27(31-26)9-5-6-21-15-24(28)17-25(29)16-21;1-25(2,3)14-12-19-6-4-8-20(16-19)22-13-15-27-24(28-22)9-5-7-18-10-11-23(29)21(26)17-18;1-25(2,3)16-14-20-7-4-8-21(18-20)23-15-17-26-24(27-23)9-5-6-19-10-12-22(28)13-11-19;1-16(2)6-7-17-4-3-5-19(14-17)21-12-13-25-23(26-21)11-9-18-8-10-22(27)20(24)15-18/h4,7-8,10-11,14-17,20H,3,5-6,9,12-13,18-19H2,1-2H3;4,6,8,10-11,13,15-17,29H,5,7,9,12,14H2,1-3H3;4,7-8,10-13,15,17-18,28H,5-6,9,14,16H2,1-3H3;3-5,8,10,12-16,27H,6-7,9,11H2,1-2H3/t20-;;;/m0.../s1.
What are the key properties of 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol?
2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol has a molecular weight of 1615.00 g/mol, XLogP of 23.66, 29 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol;2-chloro-4-[2-[4-[3-(3-methylbutyl)phenyl]pyrimidin-2-yl]ethyl]phenol;2-[3-(3,5-difluorophenyl)propyl]-4-[3-[[(2S)-4-ethyl-2-methylpiperazin-1-yl]methyl]phenyl]pyrimidine;4-[3-[4-[3-(3,3-dimethylbutyl)phenyl]pyrimidin-2-yl]propyl]phenol is sourced from PubChem (CID 161480073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).