2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine

C141H187F6N31 — CID 159097654

IUPAC2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
SMILESC.C.C.C.C.CCc1ccccc1N1CCN(c2nc(Nc3ccc(C)cc3)cc(N3CCCCC3)n2)CC1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(c4c(C)cccc4C)CC3)n2)cc1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1
InChIInChI=1S/2C28H36N6.C27H31F3N6.C27H34N6.C26H30F3N7.5CH4/c1-21-10-12-24(13-11-21)29-25-20-26(32-14-5-4-6-15-32)31-28(30-25)34-18-16-33(17-19-34)27-22(2)8-7-9-23(27)3;1-3-23-9-5-6-10-25(23)32-17-19-34(20-18-32)28-30-26(29-24-13-11-22(2)12-14-24)21-27(31-28)33-15-7-4-8-16-33;1-20-8-10-22(11-9-20)31-24-19-25(35-12-3-2-4-13-35)33-26(32-24)36-16-14-34(15-17-36)23-7-5-6-21(18-23)27(28,29)30;1-22-10-12-24(13-11-22)28-25-20-26(32-14-6-3-7-15-32)30-27(29-25)33-18-16-31(17-19-33)21-23-8-4-2-5-9-23;1-19-7-9-20(10-8-19)31-22-18-23(34-12-3-2-4-13-34)33-25(32-22)36-16-14-35(15-17-36)24-21(26(27,28)29)6-5-11-30-24;;;;;/h7-13,20H,4-6,14-19H2,1-3H3,(H,29,30,31);5-6,9-14,21H,3-4,7-8,15-20H2,1-2H3,(H,29,30,31);5-11,18-19H,2-4,12-17H2,1H3,(H,31,32,33);2,4-5,8-13,20H,3,6-7,14-19,21H2,1H3,(H,28,29,30);5-11,18H,2-4,12-17H2,1H3,(H,31,32,33);5*1H4
InChIKeyKCWISCLPQYOGBG-UHFFFAOYSA-N
MW2430.25 g/mol
LogP30.02
Rot. Bonds27

About 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine

2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine (PubChem CID 159097654) has the molecular formula C141H187F6N31 and a molecular weight of 2430.25 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
PubChem CID159097654
Molecular FormulaC141H187F6N31
Molecular Weight2430.25 g/mol
Exact Mass2428.55
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
SMILESC.C.C.C.C.CCc1ccccc1N1CCN(c2nc(Nc3ccc(C)cc3)cc(N3CCCCC3)n2)CC1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(c4c(C)cccc4C)CC3)n2)cc1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1
InChIInChI=1S/2C28H36N6.C27H31F3N6.C27H34N6.C26H30F3N7.5CH4/c1-21-10-12-24(13-11-21)29-25-20-26(32-14-5-4-6-15-32)31-28(30-25)34-18-16-33(17-19-34)27-22(2)8-7-9-23(27)3;1-3-23-9-5-6-10-25(23)32-17-19-34(20-18-32)28-30-26(29-24-13-11-22(2)12-14-24)21-27(31-28)33-15-7-4-8-16-33;1-20-8-10-22(11-9-20)31-24-19-25(35-12-3-2-4-13-35)33-26(32-24)36-16-14-34(15-17-36)23-7-5-6-21(18-23)27(28,29)30;1-22-10-12-24(13-11-22)28-25-20-26(32-14-6-3-7-15-32)30-27(29-25)33-18-16-31(17-19-33)21-23-8-4-2-5-9-23;1-19-7-9-20(10-8-19)31-22-18-23(34-12-3-2-4-13-34)33-25(32-22)36-16-14-35(15-17-36)24-21(26(27,28)29)6-5-11-30-24;;;;;/h7-13,20H,4-6,14-19H2,1-3H3,(H,29,30,31);5-6,9-14,21H,3-4,7-8,15-20H2,1-2H3,(H,29,30,31);5-11,18-19H,2-4,12-17H2,1H3,(H,31,32,33);2,4-5,8-13,20H,3,6-7,14-19,21H2,1H3,(H,28,29,30);5-11,18H,2-4,12-17H2,1H3,(H,31,32,33);5*1H4
InChIKeyKCWISCLPQYOGBG-UHFFFAOYSA-N
XLogP30.02
TPSA250.54 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002430.25
LogP ≤ 530.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine 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

6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
JNJ525 TFA salt
CID 124222736
2-((4-cyclopentylpiperazin-1-yl)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10312273
2-((diethylamino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030158
2-((cyclohexylamino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030183
2-((methylamino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030332
2-(2-(4-methylpiperazin-1-yl)ethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030491
2-((4-methylpiperazin-1-yl)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 23537063
N-(3-fluoro-2-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 57394238
6-N-[5-fluoro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine
CID 118731595
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2,3,3-trimethylindol-5-yl)pyrimidin-2-amine
CID 129202789
4-(3-ethyl-7-fluoro-2,3-dimethylindol-5-yl)-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 129202791

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine (CID 159097654) is 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine is C.C.C.C.C.CCc1ccccc1N1CCN(c2nc(Nc3ccc(C)cc3)cc(N3CCCCC3)n2)CC1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(c4c(C)cccc4C)CC3)n2)cc1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1.Cc1ccc(Nc2cc(N3CCCCC3)nc(N3CCN(c4ncccc4C(F)(F)F)CC3)n2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is KCWISCLPQYOGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H36N6.C27H31F3N6.C27H34N6.C26H30F3N7.5CH4/c1-21-10-12-24(13-11-21)29-25-20-26(32-14-5-4-6-15-32)31-28(30-25)34-18-16-33(17-19-34)27-22(2)8-7-9-23(27)3;1-3-23-9-5-6-10-25(23)32-17-19-34(20-18-32)28-30-26(29-24-13-11-22(2)12-14-24)21-27(31-28)33-15-7-4-8-16-33;1-20-8-10-22(11-9-20)31-24-19-25(35-12-3-2-4-13-35)33-26(32-24)36-16-14-34(15-17-36)23-7-5-6-21(18-23)27(28,29)30;1-22-10-12-24(13-11-22)28-25-20-26(32-14-6-3-7-15-32)30-27(29-25)33-18-16-31(17-19-33)21-23-8-4-2-5-9-23;1-19-7-9-20(10-8-19)31-22-18-23(34-12-3-2-4-13-34)33-25(32-22)36-16-14-35(15-17-36)24-21(26(27,28)29)6-5-11-30-24;;;;;/h7-13,20H,4-6,14-19H2,1-3H3,(H,29,30,31);5-6,9-14,21H,3-4,7-8,15-20H2,1-2H3,(H,29,30,31);5-11,18-19H,2-4,12-17H2,1H3,(H,31,32,33);2,4-5,8-13,20H,3,6-7,14-19,21H2,1H3,(H,28,29,30);5-11,18H,2-4,12-17H2,1H3,(H,31,32,33);5*1H4.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine?
2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 2430.25 g/mol, XLogP of 30.02, 27 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;2-[4-(2-ethylphenyl)piperazin-1-yl]-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidin-4-amine;methane;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-amine;N-(4-methylphenyl)-6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 159097654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).