tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C78H118BCl3N26O9 — CID 160728097

About tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 160728097) has the molecular formula C78H118BCl3N26O9 and a molecular weight of 1681.15 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 160728097
• Molecular Formula: C78H118BCl3N26O9
• Molecular Weight: 1681.15 g/mol
• Exact Mass: 1678.87
• IUPAC Name: tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CN(C(=O)OC(C)(C)C)[C@@H]1CCNC1.CN[C@@H]1CCN(c2cc(-c3[nH]ncc3C)nc(N)n2)C1.Cc1cnn(C2CCCCO2)c1-c1cc(Cl)nc(N)n1.Cc1cnn(C2CCCCO2)c1-c1cc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nc(N)n1.Cc1cnn(C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1.Nc1nc(Cl)cc(Cl)n1
• InChI: InChI=1S/C23H35N7O3.C15H25BN2O3.C13H16ClN5O.C13H19N7.C10H20N2O2.C4H3Cl2N3/c1-15-13-25-30(19-8-6-7-11-32-19)20(15)17-12-18(27-21(24)26-17)29-10-9-16(14-29)28(5)22(31)33-23(2,3)4;1-11-10-17-18(12-8-6-7-9-19-12)13(11)16-20-14(2,3)15(4,5)21-16;1-8-7-16-19(11-4-2-3-5-20-11)12(8)9-6-10(14)18-13(15)17-9;1-8-6-16-19-12(8)10-5-11(18-13(14)17-10)20-4-3-9(7-20)15-2;1-10(2,3)14-9(13)12(4)8-5-6-11-7-8;5-2-1-3(6)9-4(7)8-2/h12-13,16,19H,6-11,14H2,1-5H3,(H2,24,26,27);10,12H,6-9H2,1-5H3;6-7,11H,2-5H2,1H3,(H2,15,17,18);5-6,9,15H,3-4,7H2,1-2H3,(H,16,19)(H2,14,17,18);8,11H,5-7H2,1-4H3;1H,(H2,7,8,9)/t16-,19?;;;9-;8-;/m1..11./s1
• InChIKey: RTYZTMWQVUOAMS-BFYZIECPSA-N
• XLogP: 11.28
• TPSA: 425.11 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1681.15
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 160728097) is tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CN(C(=O)OC(C)(C)C)[C@@H]1CCNC1.CN[C@@H]1CCN(c2cc(-c3[nH]ncc3C)nc(N)n2)C1.Cc1cnn(C2CCCCO2)c1-c1cc(Cl)nc(N)n1.Cc1cnn(C2CCCCO2)c1-c1cc(N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)nc(N)n1.Cc1cnn(C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1.Nc1nc(Cl)cc(Cl)n1.

What is the InChIKey of tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is RTYZTMWQVUOAMS-BFYZIECPSA-N. The full InChI is InChI=1S/C23H35N7O3.C15H25BN2O3.C13H16ClN5O.C13H19N7.C10H20N2O2.C4H3Cl2N3/c1-15-13-25-30(19-8-6-7-11-32-19)20(15)17-12-18(27-21(24)26-17)29-10-9-16(14-29)28(5)22(31)33-23(2,3)4;1-11-10-17-18(12-8-6-7-9-19-12)13(11)16-20-14(2,3)15(4,5)21-16;1-8-7-16-19(11-4-2-3-5-20-11)12(8)9-6-10(14)18-13(15)17-9;1-8-6-16-19-12(8)10-5-11(18-13(14)17-10)20-4-3-9(7-20)15-2;1-10(2,3)14-9(13)12(4)8-5-6-11-7-8;5-2-1-3(6)9-4(7)8-2/h12-13,16,19H,6-11,14H2,1-5H3,(H2,24,26,27);10,12H,6-9H2,1-5H3;6-7,11H,2-5H2,1H3,(H2,15,17,18);5-6,9,15H,3-4,7H2,1-2H3,(H,16,19)(H2,14,17,18);8,11H,5-7H2,1-4H3;1H,(H2,7,8,9)/t16-,19?;;;9-;8-;/m1..11./s1.

What are the key properties of tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 1681.15 g/mol, XLogP of 11.28, 12 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3R)-1-[2-amino-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate;4-chloro-6-[4-methyl-1-(oxan-2-yl)pyrazol-5-yl]pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(4-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine;4-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 160728097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).