[4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone

C131H159Cl10F5N20O11 — CID 158305502

About [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone

[4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 158305502) has the molecular formula C131H159Cl10F5N20O11 and a molecular weight of 2639.36 g/mol. Its IUPAC name is [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone
• PubChem CID: 158305502
• Molecular Formula: C131H159Cl10F5N20O11
• Molecular Weight: 2639.36 g/mol
• Exact Mass: 2632.93
• IUPAC Name: [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone
• SMILES: CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(C3CC3)nc(Cc3ccc(Cl)c(Cl)c3)c2C)CC1.CO[C@H]1COCC[C@H]1NC1CCN(C(=O)c2nc(C3CC3)nc(Cc3ccc(Cl)c(Cl)c3)c2C)CC1.Cc1c(Cc2ccc(Cl)c(Cl)c2)nc(C(F)(F)F)nc1C(=O)N1CCC(NC2CCCCC2)CC1.Cc1c(Cc2ccc(Cl)c(Cl)c2)nc(C2CC2)nc1C(=O)N1CCC(N[C@@H]2CCOC[C@@H]2F)CC1.Cc1c(Cc2ccc(Cl)c(Cl)c2)nc(C2CC2)nc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1
• InChI: InChI=1S/2C27H34Cl2N4O3.2C26H31Cl2FN4O2.C25H29Cl2F3N4O/c2*1-16-23(14-17-3-6-20(28)21(29)13-17)31-26(18-4-5-18)32-25(16)27(34)33-10-7-19(8-11-33)30-22-9-12-36-15-24(22)35-2;2*1-15-23(13-16-2-5-19(27)20(28)12-16)31-25(17-3-4-17)32-24(15)26(34)33-9-6-18(7-10-33)30-22-8-11-35-14-21(22)29;1-15-21(14-16-7-8-19(26)20(27)13-16)32-24(25(28,29)30)33-22(15)23(35)34-11-9-18(10-12-34)31-17-5-3-2-4-6-17/h2*3,6,13,18-19,22,24,30H,4-5,7-12,14-15H2,1-2H3;2*2,5,12,17-18,21-22,30H,3-4,6-11,13-14H2,1H3;7-8,13,17-18,31H,2-6,9-12,14H2,1H3/t2*22-,24+;2*21-,22+;/m1010./s1
• InChIKey: GNANVBGCMLXWCO-YMVVTFPXSA-N
• XLogP: 25.11
• TPSA: 345.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2639.36
LogP ≤ 5	25.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone?

The IUPAC name of [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone (CID 158305502) is [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone.

What is the SMILES notation for [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone?

The canonical SMILES for [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone is CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(C3CC3)nc(Cc3ccc(Cl)c(Cl)c3)c2C)CC1.CO[C@H]1COCC[C@H]1NC1CCN(C(=O)c2nc(C3CC3)nc(Cc3ccc(Cl)c(Cl)c3)c2C)CC1.Cc1c(Cc2ccc(Cl)c(Cl)c2)nc(C(F)(F)F)nc1C(=O)N1CCC(NC2CCCCC2)CC1.Cc1c(Cc2ccc(Cl)c(Cl)c2)nc(C2CC2)nc1C(=O)N1CCC(N[C@@H]2CCOC[C@@H]2F)CC1.Cc1c(Cc2ccc(Cl)c(Cl)c2)nc(C2CC2)nc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1.

What is the InChIKey of [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone?

The InChIKey is GNANVBGCMLXWCO-YMVVTFPXSA-N. The full InChI is InChI=1S/2C27H34Cl2N4O3.2C26H31Cl2FN4O2.C25H29Cl2F3N4O/c2*1-16-23(14-17-3-6-20(28)21(29)13-17)31-26(18-4-5-18)32-25(16)27(34)33-10-7-19(8-11-33)30-22-9-12-36-15-24(22)35-2;2*1-15-23(13-16-2-5-19(27)20(28)12-16)31-25(17-3-4-17)32-24(15)26(34)33-9-6-18(7-10-33)30-22-8-11-35-14-21(22)29;1-15-21(14-16-7-8-19(26)20(27)13-16)32-24(25(28,29)30)33-22(15)23(35)34-11-9-18(10-12-34)31-17-5-3-2-4-6-17/h2*3,6,13,18-19,22,24,30H,4-5,7-12,14-15H2,1-2H3;2*2,5,12,17-18,21-22,30H,3-4,6-11,13-14H2,1H3;7-8,13,17-18,31H,2-6,9-12,14H2,1H3/t2*22-,24+;2*21-,22+;/m1010./s1.

What are the key properties of [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone?

[4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 2639.36 g/mol, XLogP of 25.11, 31 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(cyclohexylamino)piperidin-1-yl]-[6-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(trifluoromethyl)pyrimidin-4-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-fluorooxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3S,4S)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone;[2-cyclopropyl-6-[(3,4-dichlorophenyl)methyl]-5-methylpyrimidin-4-yl]-[4-[[(3R,4R)-3-methoxyoxan-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 158305502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).