4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride

C95H109Cl5F8N20O10 — CID 160733834

About 4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride

4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride (PubChem CID 160733834) has the molecular formula C95H109Cl5F8N20O10 and a molecular weight of 2020.30 g/mol. Its IUPAC name is 4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride
• PubChem CID: 160733834
• Molecular Formula: C95H109Cl5F8N20O10
• Molecular Weight: 2020.30 g/mol
• Exact Mass: 2016.70
• IUPAC Name: 4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride
• SMILES: CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(NC3CCN(C)CC3(F)F)c(C)c(-c3c(C)noc3C)n2)c1.Cc1noc(C)c1-c1nc(-c2cc(O)ccc2Cl)nc(NC2CCN(C)CC2(F)F)c1C.Cc1noc(C)c1-c1nc(-c2cc(O)ccc2Cl)nc(NC2CCNCC2(F)F)c1C.Cc1noc(C)c1-c1nc(-c2cc(OC[C@H]3CO3)ccc2Cl)nc(NC2CCN(C)CC2(F)F)c1C.Cl
• InChI: InChI=1S/C27H34ClF2N5O3.C25H28ClF2N5O3.C22H24ClF2N5O2.C21H22ClF2N5O2.ClH/c1-6-7-18(36)13-37-19-8-9-21(28)20(12-19)26-32-24(23-16(3)34-38-17(23)4)15(2)25(33-26)31-22-10-11-35(5)14-27(22,29)30;1-13-22(21-14(2)32-36-15(21)3)30-24(18-9-16(5-6-19(18)26)34-10-17-11-35-17)31-23(13)29-20-7-8-33(4)12-25(20,27)28;1-11-19(18-12(2)29-32-13(18)3)27-21(15-9-14(31)5-6-16(15)23)28-20(11)26-17-7-8-30(4)10-22(17,24)25;1-10-18(17-11(2)29-31-12(17)3)27-20(14-8-13(30)4-5-15(14)22)28-19(10)26-16-6-7-25-9-21(16,23)24;/h8-9,12,18,22,36H,6-7,10-11,13-14H2,1-5H3,(H,31,32,33);5-6,9,17,20H,7-8,10-12H2,1-4H3,(H,29,30,31);5-6,9,17,31H,7-8,10H2,1-4H3,(H,26,27,28);4-5,8,16,25,30H,6-7,9H2,1-3H3,(H,26,27,28);1H/t18-,22?;17-,20?;;;/m10.../s1
• InChIKey: IYNUWQTYPSYAIK-DUCNRUBISA-N
• XLogP: 20.32
• TPSA: 368.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2020.30
LogP ≤ 5	20.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride?

The IUPAC name of 4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride (CID 160733834) is 4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride.

What is the SMILES notation for 4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride?

The canonical SMILES for 4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride is CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(NC3CCN(C)CC3(F)F)c(C)c(-c3c(C)noc3C)n2)c1.Cc1noc(C)c1-c1nc(-c2cc(O)ccc2Cl)nc(NC2CCN(C)CC2(F)F)c1C.Cc1noc(C)c1-c1nc(-c2cc(O)ccc2Cl)nc(NC2CCNCC2(F)F)c1C.Cc1noc(C)c1-c1nc(-c2cc(OC[C@H]3CO3)ccc2Cl)nc(NC2CCN(C)CC2(F)F)c1C.Cl.

What is the InChIKey of 4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride?

The InChIKey is IYNUWQTYPSYAIK-DUCNRUBISA-N. The full InChI is InChI=1S/C27H34ClF2N5O3.C25H28ClF2N5O3.C22H24ClF2N5O2.C21H22ClF2N5O2.ClH/c1-6-7-18(36)13-37-19-8-9-21(28)20(12-19)26-32-24(23-16(3)34-38-17(23)4)15(2)25(33-26)31-22-10-11-35(5)14-27(22,29)30;1-13-22(21-14(2)32-36-15(21)3)30-24(18-9-16(5-6-19(18)26)34-10-17-11-35-17)31-23(13)29-20-7-8-33(4)12-25(20,27)28;1-11-19(18-12(2)29-32-13(18)3)27-21(15-9-14(31)5-6-16(15)23)28-20(11)26-17-7-8-30(4)10-22(17,24)25;1-10-18(17-11(2)29-31-12(17)3)27-20(14-8-13(30)4-5-15(14)22)28-19(10)26-16-6-7-25-9-21(16,23)24;/h8-9,12,18,22,36H,6-7,10-11,13-14H2,1-5H3,(H,31,32,33);5-6,9,17,20H,7-8,10-12H2,1-4H3,(H,29,30,31);5-6,9,17,31H,7-8,10H2,1-4H3,(H,26,27,28);4-5,8,16,25,30H,6-7,9H2,1-3H3,(H,26,27,28);1H/t18-,22?;17-,20?;;;/m10.../s1.

What are the key properties of 4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride?

4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride has a molecular weight of 2020.30 g/mol, XLogP of 20.32, 24 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;(2R)-1-[4-chloro-3-[4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]pentan-2-ol;4-chloro-3-[4-[(3,3-difluoropiperidin-4-yl)amino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenol;2-[2-chloro-5-[[(2R)-oxiran-2-yl]methoxy]phenyl]-N-(3,3-difluoro-1-methylpiperidin-4-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 160733834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).