3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine

C102H120Cl4N26O2 — CID 159017708

About 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine

3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine (PubChem CID 159017708) has the molecular formula C102H120Cl4N26O2 and a molecular weight of 1884.07 g/mol. Its IUPAC name is 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine.

Molecular Properties

• Compound Name: 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine
• PubChem CID: 159017708
• Molecular Formula: C102H120Cl4N26O2
• Molecular Weight: 1884.07 g/mol
• Exact Mass: 1880.88
• IUPAC Name: 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine
• SMILES: Cc1cc(C2CCNCC2)c(C)cc1Cc1ncc(Cl)c(Cc2ccc[nH]c2=O)n1.Cc1cc(Cc2ncc(Cl)c(Cc3ccn[nH]3)n2)c(OC(C)C)cc1C1CCN(C)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5ccccn5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5cncnc5)CC4)cc3C)ncc2Cl)n[nH]1
• InChI: InChI=1S/C27H31ClN8.C26H30ClN9.C25H32ClN5O.C24H27ClN4O/c1-17-13-24(31-27-30-15-23(28)26(33-27)32-25-14-19(3)34-35-25)18(2)12-22(17)20-7-10-36(11-8-20)16-21-6-4-5-9-29-21;1-16-9-23(31-26-30-13-22(27)25(33-26)32-24-10-18(3)34-35-24)17(2)8-21(16)20-4-6-36(7-5-20)14-19-11-28-15-29-12-19;1-16(2)32-24-14-21(18-6-9-31(4)10-7-18)17(3)11-19(24)12-25-27-15-22(26)23(29-25)13-20-5-8-28-30-20;1-15-11-20(17-5-8-26-9-6-17)16(2)10-19(15)13-23-28-14-21(25)22(29-23)12-18-4-3-7-27-24(18)30/h4-6,9,12-15,20H,7-8,10-11,16H2,1-3H3,(H3,30,31,32,33,34,35);8-13,15,20H,4-7,14H2,1-3H3,(H3,30,31,32,33,34,35);5,8,11,14-16,18H,6-7,9-10,12-13H2,1-4H3,(H,28,30);3-4,7,10-11,14,17,26H,5-6,8-9,12-13H2,1-2H3,(H,27,30)
• InChIKey: JTHLHXKLKGRATG-UHFFFAOYSA-N
• XLogP: 20.50
• TPSA: 339.79 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.07
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine?

The IUPAC name of 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine (CID 159017708) is 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine.

What is the SMILES notation for 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine?

The canonical SMILES for 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine is Cc1cc(C2CCNCC2)c(C)cc1Cc1ncc(Cl)c(Cc2ccc[nH]c2=O)n1.Cc1cc(Cc2ncc(Cl)c(Cc3ccn[nH]3)n2)c(OC(C)C)cc1C1CCN(C)CC1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5ccccn5)CC4)cc3C)ncc2Cl)n[nH]1.Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(Cc5cncnc5)CC4)cc3C)ncc2Cl)n[nH]1.

What is the InChIKey of 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine?

The InChIKey is JTHLHXKLKGRATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN8.C26H30ClN9.C25H32ClN5O.C24H27ClN4O/c1-17-13-24(31-27-30-15-23(28)26(33-27)32-25-14-19(3)34-35-25)18(2)12-22(17)20-7-10-36(11-8-20)16-21-6-4-5-9-29-21;1-16-9-23(31-26-30-13-22(27)25(33-26)32-24-10-18(3)34-35-24)17(2)8-21(16)20-4-6-36(7-5-20)14-19-11-28-15-29-12-19;1-16(2)32-24-14-21(18-6-9-31(4)10-7-18)17(3)11-19(24)12-25-27-15-22(26)23(29-25)13-20-5-8-28-30-20;1-15-11-20(17-5-8-26-9-6-17)16(2)10-19(15)13-23-28-14-21(25)22(29-23)12-18-4-3-7-27-24(18)30/h4-6,9,12-15,20H,7-8,10-11,16H2,1-3H3,(H3,30,31,32,33,34,35);8-13,15,20H,4-7,14H2,1-3H3,(H3,30,31,32,33,34,35);5,8,11,14-16,18H,6-7,9-10,12-13H2,1-4H3,(H,28,30);3-4,7,10-11,14,17,26H,5-6,8-9,12-13H2,1-2H3,(H,27,30).

What are the key properties of 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine?

3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine has a molecular weight of 1884.07 g/mol, XLogP of 20.50, 26 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-chloro-2-[(2,5-dimethyl-4-piperidin-4-ylphenyl)methyl]pyrimidin-4-yl]methyl]-1H-pyridin-2-one;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-N-[2,5-dimethyl-4-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]phenyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;5-chloro-2-[[5-methyl-4-(1-methylpiperidin-4-yl)-2-propan-2-yloxyphenyl]methyl]-4-(1H-pyrazol-5-ylmethyl)pyrimidine is sourced from PubChem (CID 159017708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).