4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine

C128H179ClF3N23 — CID 164958270

IUPAC4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCCC1(CCCc2ccccc2)CCCN(c2cc(C(F)(F)F)ncn2)C1.CCC1(CCCc2ccccc2)CCCN(c2nc(N(C)C)nc(C)c2C)C1.CCC1(CCCc2ccccc2)CCCN(c2nc(N)nc(C)c2C)C1.CCC1(CCCc2ccccc2)CCCN(c2nc(N)nc(N)n2)C1.CCC1(CCCc2ccccc2)CCCN(c2nccnc2C)C1.CCC1(CCCc2ccccc2)CCCN(c2ncnc(Cl)c2C)C1
InChIInChI=1S/C24H36N4.C22H32N4.C21H28ClN3.C21H26F3N3.C21H29N3.C19H28N6/c1-6-24(15-10-14-21-12-8-7-9-13-21)16-11-17-28(18-24)22-19(2)20(3)25-23(26-22)27(4)5;1-4-22(13-8-12-19-10-6-5-7-11-19)14-9-15-26(16-22)20-17(2)18(3)24-21(23)25-20;1-3-21(12-7-11-18-9-5-4-6-10-18)13-8-14-25(15-21)20-17(2)19(22)23-16-24-20;1-2-20(11-6-10-17-8-4-3-5-9-17)12-7-13-27(15-20)19-14-18(21(22,23)24)25-16-26-19;1-3-21(12-7-11-19-9-5-4-6-10-19)13-8-16-24(17-21)20-18(2)22-14-15-23-20;1-2-19(11-6-10-15-8-4-3-5-9-15)12-7-13-25(14-19)18-23-16(20)22-17(21)24-18/h7-9,12-13H,6,10-11,14-18H2,1-5H3;5-7,10-11H,4,8-9,12-16H2,1-3H3,(H2,23,24,25);4-6,9-10,16H,3,7-8,11-15H2,1-2H3;3-5,8-9,14,16H,2,6-7,10-13,15H2,1H3;4-6,9-10,14-15H,3,7-8,11-13,16-17H2,1-2H3;3-5,8-9H,2,6-7,10-14H2,1H3,(H4,20,21,22,23,24)
InChIKeyBLVSTAKGFRKOGF-UHFFFAOYSA-N
MW2132.45 g/mol
LogP28.71
Rot. Bonds37

About 4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine

4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 164958270) has the molecular formula C128H179ClF3N23 and a molecular weight of 2132.45 g/mol. Its IUPAC name is 4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID164958270
Molecular FormulaC128H179ClF3N23
Molecular Weight2132.45 g/mol
Exact Mass2130.44
IUPAC Name4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCCC1(CCCc2ccccc2)CCCN(c2cc(C(F)(F)F)ncn2)C1.CCC1(CCCc2ccccc2)CCCN(c2nc(N(C)C)nc(C)c2C)C1.CCC1(CCCc2ccccc2)CCCN(c2nc(N)nc(C)c2C)C1.CCC1(CCCc2ccccc2)CCCN(c2nc(N)nc(N)n2)C1.CCC1(CCCc2ccccc2)CCCN(c2nccnc2C)C1.CCC1(CCCc2ccccc2)CCCN(c2ncnc(Cl)c2C)C1
InChIInChI=1S/C24H36N4.C22H32N4.C21H28ClN3.C21H26F3N3.C21H29N3.C19H28N6/c1-6-24(15-10-14-21-12-8-7-9-13-21)16-11-17-28(18-24)22-19(2)20(3)25-23(26-22)27(4)5;1-4-22(13-8-12-19-10-6-5-7-11-19)14-9-15-26(16-22)20-17(2)18(3)24-21(23)25-20;1-3-21(12-7-11-18-9-5-4-6-10-18)13-8-14-25(15-21)20-17(2)19(22)23-16-24-20;1-2-20(11-6-10-17-8-4-3-5-9-17)12-7-13-27(15-20)19-14-18(21(22,23)24)25-16-26-19;1-3-21(12-7-11-19-9-5-4-6-10-19)13-8-16-24(17-21)20-18(2)22-14-15-23-20;1-2-19(11-6-10-15-8-4-3-5-9-15)12-7-13-25(14-19)18-23-16(20)22-17(21)24-18/h7-9,12-13H,6,10-11,14-18H2,1-5H3;5-7,10-11H,4,8-9,12-16H2,1-3H3,(H2,23,24,25);4-6,9-10,16H,3,7-8,11-15H2,1-2H3;3-5,8-9,14,16H,2,6-7,10-13,15H2,1H3;4-6,9-10,14-15H,3,7-8,11-13,16-17H2,1-2H3;3-5,8-9H,2,6-7,10-14H2,1H3,(H4,20,21,22,23,24)
InChIKeyBLVSTAKGFRKOGF-UHFFFAOYSA-N
XLogP28.71
TPSA268.31 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds37
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002132.45
LogP ≤ 528.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze 4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine 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-[(3,3-dimethylpiperidin-1-yl)methyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 22030482
4-(3-Chloro-4-fluorophenyl)-2-(3-methylpyridin-2-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761182
4-(3-Chloro-4-fluorophenyl)-2,6-bis[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761221
6-[4-[6-(3-Chloro-4-fluorophenyl)-2-(4-propylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-methylpyridin-3-amine
CID 57761380
1-[4-[4-(3-Chloro-4-fluorophenyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]piperazin-1-yl]ethanimine
CID 57761387
4-(3-chlorophenyl)-N-(cycloheptylmethyl)-N-(2-phenylethyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-amine
CID 57761865
4-(3-Chloro-4-fluorophenyl)-2-(3,3-dimethylpiperidin-1-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761889
6-(3-chloro-4-fluorophenyl)-4-N-[(5-methylpyrazin-2-yl)methyl]-5-pyrimidin-5-ylpyrimidine-2,4-diamine
CID 68646968
3-(3-Chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine
CID 71199852
3-(3-Chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine
CID 71199853
4-(5-amino-3-pyridinyl)-N,N-diethyl-6-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
CID 71216194
2-chloro-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidine;(2S)-3-phenyl-1-N-[4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]propane-1,2-diamine;hydrochloride
CID 88117122

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 164958270) is 4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine is CCC1(CCCc2ccccc2)CCCN(c2cc(C(F)(F)F)ncn2)C1.CCC1(CCCc2ccccc2)CCCN(c2nc(N(C)C)nc(C)c2C)C1.CCC1(CCCc2ccccc2)CCCN(c2nc(N)nc(C)c2C)C1.CCC1(CCCc2ccccc2)CCCN(c2nc(N)nc(N)n2)C1.CCC1(CCCc2ccccc2)CCCN(c2nccnc2C)C1.CCC1(CCCc2ccccc2)CCCN(c2ncnc(Cl)c2C)C1.
What is the InChIKey of 4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is BLVSTAKGFRKOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4.C22H32N4.C21H28ClN3.C21H26F3N3.C21H29N3.C19H28N6/c1-6-24(15-10-14-21-12-8-7-9-13-21)16-11-17-28(18-24)22-19(2)20(3)25-23(26-22)27(4)5;1-4-22(13-8-12-19-10-6-5-7-11-19)14-9-15-26(16-22)20-17(2)18(3)24-21(23)25-20;1-3-21(12-7-11-18-9-5-4-6-10-18)13-8-14-25(15-21)20-17(2)19(22)23-16-24-20;1-2-20(11-6-10-17-8-4-3-5-9-17)12-7-13-27(15-20)19-14-18(21(22,23)24)25-16-26-19;1-3-21(12-7-11-19-9-5-4-6-10-19)13-8-16-24(17-21)20-18(2)22-14-15-23-20;1-2-19(11-6-10-15-8-4-3-5-9-15)12-7-13-25(14-19)18-23-16(20)22-17(21)24-18/h7-9,12-13H,6,10-11,14-18H2,1-5H3;5-7,10-11H,4,8-9,12-16H2,1-3H3,(H2,23,24,25);4-6,9-10,16H,3,7-8,11-15H2,1-2H3;3-5,8-9,14,16H,2,6-7,10-13,15H2,1H3;4-6,9-10,14-15H,3,7-8,11-13,16-17H2,1-2H3;3-5,8-9H,2,6-7,10-14H2,1H3,(H4,20,21,22,23,24).
What are the key properties of 4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine?
4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 2132.45 g/mol, XLogP of 28.71, 37 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5-methylpyrimidine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-5,6-dimethylpyrimidin-2-amine;2-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-3-methylpyrazine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine;6-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-1,3,5-triazine-2,4-diamine;4-[3-ethyl-3-(3-phenylpropyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 164958270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).