2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate

C83H93BCl3N21O12 — CID 164952083

About 2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate

2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate (PubChem CID 164952083) has the molecular formula C83H93BCl3N21O12 and a molecular weight of 1693.96 g/mol. Its IUPAC name is 2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate.

Molecular Properties

• Compound Name: 2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
• PubChem CID: 164952083
• Molecular Formula: C83H93BCl3N21O12
• Molecular Weight: 1693.96 g/mol
• Exact Mass: 1691.65
• IUPAC Name: 2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
• SMILES: COC(=O)C1=CC(c2nc(Cl)ncc2C)=CC1.COC(=O)c1cc(B2OCC(C)(C)O2)c[nH]1.Cc1cccc([C@@H](CO)NC(=O)[C@@H](C)N2CCn3cc(-c4nc(Nc5ccnn5C)ncc4C)cc3C2=O)c1.Cc1cccc([C@@H](CO)NC(=O)[C@H](C)N2CCn3cc(-c4nc(Nc5ccnn5C)ncc4C)cc3C2=O)c1.Cc1cnc(Cl)nc1Cl
• InChI: InChI=1S/2C28H32N8O3.C12H11ClN2O2.C10H14BNO4.C5H4Cl2N2/c2*1-17-6-5-7-20(12-17)22(16-37)31-26(38)19(3)36-11-10-35-15-21(13-23(35)27(36)39)25-18(2)14-29-28(33-25)32-24-8-9-30-34(24)4;1-7-6-14-12(13)15-10(7)8-3-4-9(5-8)11(16)17-2;1-10(2)6-15-11(16-10)7-4-8(12-5-7)9(13)14-3;1-3-2-8-5(7)9-4(3)6/h2*5-9,12-15,19,22,37H,10-11,16H2,1-4H3,(H,31,38)(H,29,32,33);3,5-6H,4H2,1-2H3;4-5,12H,6H2,1-3H3;2H,1H3/t19-,22+;19-,22-;;;/m01.../s1
• InChIKey: AQZZMBCSDOOHMH-DIOZYIMTSA-N
• XLogP: 10.20
• TPSA: 398.81 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1693.96
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate?

The IUPAC name of 2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate (CID 164952083) is 2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate.

What is the SMILES notation for 2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate?

The canonical SMILES for 2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate is COC(=O)C1=CC(c2nc(Cl)ncc2C)=CC1.COC(=O)c1cc(B2OCC(C)(C)O2)c[nH]1.Cc1cccc([C@@H](CO)NC(=O)[C@@H](C)N2CCn3cc(-c4nc(Nc5ccnn5C)ncc4C)cc3C2=O)c1.Cc1cccc([C@@H](CO)NC(=O)[C@H](C)N2CCn3cc(-c4nc(Nc5ccnn5C)ncc4C)cc3C2=O)c1.Cc1cnc(Cl)nc1Cl.

What is the InChIKey of 2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate?

The InChIKey is AQZZMBCSDOOHMH-DIOZYIMTSA-N. The full InChI is InChI=1S/2C28H32N8O3.C12H11ClN2O2.C10H14BNO4.C5H4Cl2N2/c2*1-17-6-5-7-20(12-17)22(16-37)31-26(38)19(3)36-11-10-35-15-21(13-23(35)27(36)39)25-18(2)14-29-28(33-25)32-24-8-9-30-34(24)4;1-7-6-14-12(13)15-10(7)8-3-4-9(5-8)11(16)17-2;1-10(2)6-15-11(16-10)7-4-8(12-5-7)9(13)14-3;1-3-2-8-5(7)9-4(3)6/h2*5-9,12-15,19,22,37H,10-11,16H2,1-4H3,(H,31,38)(H,29,32,33);3,5-6H,4H2,1-2H3;4-5,12H,6H2,1-3H3;2H,1H3/t19-,22+;19-,22-;;;/m01.../s1.

What are the key properties of 2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate?

2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate has a molecular weight of 1693.96 g/mol, XLogP of 10.20, 20 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-5-methylpyrimidine;(2S)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;(2R)-N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-2-[7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-2-yl]propanamide;methyl 3-(2-chloro-5-methylpyrimidin-4-yl)cyclopenta-1,3-diene-1-carboxylate;methyl 4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 164952083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).