2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol

C103H119Cl2F2N11O — CID 157341166

IUPAC2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol
SMILESCc1ccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)cc1.Cc1ccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)cc1Cl.Cc1ccc(CCCc2nccc(-c3cccc(C(C)O)c3)n2)cc1.Cc1ccc(CCCc2nccc(-c3cccc(CCC4CCNCC4)c3)n2)cc1Cl
InChIInChI=1S/C27H31ClFN3.C27H32ClN3.C27H32FN3.C22H24N2O/c1-19-8-9-22(17-24(19)28)5-3-7-26-31-18-25(29)27(32-26)23-6-2-4-21(16-23)11-10-20-12-14-30-15-13-20;1-20-8-9-23(19-25(20)28)5-3-7-27-30-17-14-26(31-27)24-6-2-4-22(18-24)11-10-21-12-15-29-16-13-21;1-20-8-10-21(11-9-20)4-3-7-26-30-19-25(28)27(31-26)24-6-2-5-23(18-24)13-12-22-14-16-29-17-15-22;1-16-9-11-18(12-10-16)5-3-8-22-23-14-13-21(24-22)20-7-4-6-19(15-20)17(2)25/h2,4,6,8-9,16-18,20,30H,3,5,7,10-15H2,1H3;2,4,6,8-9,14,17-19,21,29H,3,5,7,10-13,15-16H2,1H3;2,5-6,8-11,18-19,22,29H,3-4,7,12-17H2,1H3;4,6-7,9-15,17,25H,3,5,8H2,1-2H3
InChIKeyBGKJWWGDPKDFFE-UHFFFAOYSA-N
MW1636.06 g/mol
LogP22.94
Rot. Bonds30

About 2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol

2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol (PubChem CID 157341166) has the molecular formula C103H119Cl2F2N11O and a molecular weight of 1636.06 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol
PubChem CID157341166
Molecular FormulaC103H119Cl2F2N11O
Molecular Weight1636.06 g/mol
Exact Mass1633.89
IUPAC Name2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol
SMILESCc1ccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)cc1.Cc1ccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)cc1Cl.Cc1ccc(CCCc2nccc(-c3cccc(C(C)O)c3)n2)cc1.Cc1ccc(CCCc2nccc(-c3cccc(CCC4CCNCC4)c3)n2)cc1Cl
InChIInChI=1S/C27H31ClFN3.C27H32ClN3.C27H32FN3.C22H24N2O/c1-19-8-9-22(17-24(19)28)5-3-7-26-31-18-25(29)27(32-26)23-6-2-4-21(16-23)11-10-20-12-14-30-15-13-20;1-20-8-9-23(19-25(20)28)5-3-7-27-30-17-14-26(31-27)24-6-2-4-22(18-24)11-10-21-12-15-29-16-13-21;1-20-8-10-21(11-9-20)4-3-7-26-30-19-25(28)27(31-26)24-6-2-5-23(18-24)13-12-22-14-16-29-17-15-22;1-16-9-11-18(12-10-16)5-3-8-22-23-14-13-21(24-22)20-7-4-6-19(15-20)17(2)25/h2,4,6,8-9,16-18,20,30H,3,5,7,10-15H2,1H3;2,4,6,8-9,14,17-19,21,29H,3,5,7,10-13,15-16H2,1H3;2,5-6,8-11,18-19,22,29H,3-4,7,12-17H2,1H3;4,6-7,9-15,17,25H,3,5,8H2,1-2H3
InChIKeyBGKJWWGDPKDFFE-UHFFFAOYSA-N
XLogP22.94
TPSA159.44 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001636.06
LogP ≤ 522.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol?
The IUPAC name of 2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol (CID 157341166) is 2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol.
What is the SMILES notation for 2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol?
The canonical SMILES for 2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol is Cc1ccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)cc1.Cc1ccc(CCCc2ncc(F)c(-c3cccc(CCC4CCNCC4)c3)n2)cc1Cl.Cc1ccc(CCCc2nccc(-c3cccc(C(C)O)c3)n2)cc1.Cc1ccc(CCCc2nccc(-c3cccc(CCC4CCNCC4)c3)n2)cc1Cl.
What is the InChIKey of 2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol?
The InChIKey is BGKJWWGDPKDFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClFN3.C27H32ClN3.C27H32FN3.C22H24N2O/c1-19-8-9-22(17-24(19)28)5-3-7-26-31-18-25(29)27(32-26)23-6-2-4-21(16-23)11-10-20-12-14-30-15-13-20;1-20-8-9-23(19-25(20)28)5-3-7-27-30-17-14-26(31-27)24-6-2-4-22(18-24)11-10-21-12-15-29-16-13-21;1-20-8-10-21(11-9-20)4-3-7-26-30-19-25(28)27(31-26)24-6-2-5-23(18-24)13-12-22-14-16-29-17-15-22;1-16-9-11-18(12-10-16)5-3-8-22-23-14-13-21(24-22)20-7-4-6-19(15-20)17(2)25/h2,4,6,8-9,16-18,20,30H,3,5,7,10-15H2,1H3;2,4,6,8-9,14,17-19,21,29H,3,5,7,10-13,15-16H2,1H3;2,5-6,8-11,18-19,22,29H,3-4,7,12-17H2,1H3;4,6-7,9-15,17,25H,3,5,8H2,1-2H3.
What are the key properties of 2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol?
2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol has a molecular weight of 1636.06 g/mol, XLogP of 22.94, 30 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-methylphenyl)propyl]-5-fluoro-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;2-[3-(3-chloro-4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;5-fluoro-2-[3-(4-methylphenyl)propyl]-4-[3-(2-piperidin-4-ylethyl)phenyl]pyrimidine;1-[3-[2-[3-(4-methylphenyl)propyl]pyrimidin-4-yl]phenyl]ethanol is sourced from PubChem (CID 157341166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).