benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride

C76H105BCl4N26O6 — CID 158096824

About benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride

benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride (PubChem CID 158096824) has the molecular formula C76H105BCl4N26O6 and a molecular weight of 1631.48 g/mol. Its IUPAC name is benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride.

Molecular Properties

• Compound Name: benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride
• PubChem CID: 158096824
• Molecular Formula: C76H105BCl4N26O6
• Molecular Weight: 1631.48 g/mol
• Exact Mass: 1628.76
• IUPAC Name: benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride
• SMILES: CN(C(=O)OCc1ccccc1)C1(C)CCNC1.CNC1(C)CCN(c2cc(-c3cn(C)nc3C)nc(N)n2)C1.Cc1nn(C)cc1-c1cc(Cl)nc(N)n1.Cc1nn(C)cc1-c1cc(N2CCC(C)(N(C)C(=O)OCc3ccccc3)C2)nc(N)n1.Cc1nn(C)cc1B1OC(C)(C)C(C)(C)O1.Cl.Nc1nc(Cl)cc(Cl)n1
• InChI: InChI=1S/C23H29N7O2.C15H23N7.C14H20N2O2.C11H19BN2O2.C9H10ClN5.C4H3Cl2N3.ClH/c1-16-18(13-28(3)27-16)19-12-20(26-21(24)25-19)30-11-10-23(2,15-30)29(4)22(31)32-14-17-8-6-5-7-9-17;1-10-11(8-21(4)20-10)12-7-13(19-14(16)18-12)22-6-5-15(2,9-22)17-3;1-14(8-9-15-11-14)16(2)13(17)18-10-12-6-4-3-5-7-12;1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12;1-5-6(4-15(2)14-5)7-3-8(10)13-9(11)12-7;5-2-1-3(6)9-4(7)8-2;/h5-9,12-13H,10-11,14-15H2,1-4H3,(H2,24,25,26);7-8,17H,5-6,9H2,1-4H3,(H2,16,18,19);3-7,15H,8-11H2,1-2H3;7H,1-6H3;3-4H,1-2H3,(H2,11,12,13);1H,(H2,7,8,9);1H
• InChIKey: RQFQTIXEZUDSQP-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 386.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1631.48
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride?

The IUPAC name of benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride (CID 158096824) is benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride.

What is the SMILES notation for benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride?

The canonical SMILES for benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride is CN(C(=O)OCc1ccccc1)C1(C)CCNC1.CNC1(C)CCN(c2cc(-c3cn(C)nc3C)nc(N)n2)C1.Cc1nn(C)cc1-c1cc(Cl)nc(N)n1.Cc1nn(C)cc1-c1cc(N2CCC(C)(N(C)C(=O)OCc3ccccc3)C2)nc(N)n1.Cc1nn(C)cc1B1OC(C)(C)C(C)(C)O1.Cl.Nc1nc(Cl)cc(Cl)n1.

What is the InChIKey of benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride?

The InChIKey is RQFQTIXEZUDSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2.C15H23N7.C14H20N2O2.C11H19BN2O2.C9H10ClN5.C4H3Cl2N3.ClH/c1-16-18(13-28(3)27-16)19-12-20(26-21(24)25-19)30-11-10-23(2,15-30)29(4)22(31)32-14-17-8-6-5-7-9-17;1-10-11(8-21(4)20-10)12-7-13(19-14(16)18-12)22-6-5-15(2,9-22)17-3;1-14(8-9-15-11-14)16(2)13(17)18-10-12-6-4-3-5-7-12;1-8-9(7-14(6)13-8)12-15-10(2,3)11(4,5)16-12;1-5-6(4-15(2)14-5)7-3-8(10)13-9(11)12-7;5-2-1-3(6)9-4(7)8-2;/h5-9,12-13H,10-11,14-15H2,1-4H3,(H2,24,25,26);7-8,17H,5-6,9H2,1-4H3,(H2,16,18,19);3-7,15H,8-11H2,1-2H3;7H,1-6H3;3-4H,1-2H3,(H2,11,12,13);1H,(H2,7,8,9);1H.

What are the key properties of benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride?

benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride has a molecular weight of 1631.48 g/mol, XLogP of 10.20, 13 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-N-methylcarbamate;benzyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;4,6-dichloropyrimidin-2-amine;4-(1,3-dimethylpyrazol-4-yl)-6-[3-methyl-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride is sourced from PubChem (CID 158096824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).