5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C75H89ClN36O3S2 — CID 159330669

About 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159330669) has the molecular formula C75H89ClN36O3S2 and a molecular weight of 1642.37 g/mol. Its IUPAC name is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159330669
• Molecular Formula: C75H89ClN36O3S2
• Molecular Weight: 1642.37 g/mol
• Exact Mass: 1640.70
• IUPAC Name: 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: C.C.C.C.C.C.COc1cc(-c2nn(C)c3ncnc(N)c23)cs1.Cc1ncc(-c2nn(C)c3ncnc(N)c23)cn1.Cn1nc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc21.Cn1nc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21.Cn1nc(-c2cnc(N)nc2)c2c(N)ncnc21.Cn1nc(-c2csc(CO)c2)c2c(N)ncnc21
• InChI: InChI=1S/C14H12N6.C12H10ClN5O.C11H11N7.2C11H11N5OS.C10H10N8.6CH4/c1-20-14-11(13(15)17-7-18-14)12(19-20)9-3-2-8-4-5-16-10(8)6-9;1-18-12-9(11(14)15-5-16-12)10(17-18)6-2-3-7(13)8(19)4-6;1-6-13-3-7(4-14-6)9-8-10(12)15-5-16-11(8)18(2)17-9;1-16-11-8(10(12)13-5-14-11)9(15-16)6-3-7(17-2)18-4-6;1-16-11-8(10(12)13-5-14-11)9(15-16)6-2-7(3-17)18-4-6;1-18-9-6(8(11)15-4-16-9)7(17-18)5-2-13-10(12)14-3-5;;;;;;/h2-7,16H,1H3,(H2,15,17,18);2-5,19H,1H3,(H2,14,15,16);3-5H,1-2H3,(H2,12,15,16);3-5H,1-2H3,(H2,12,13,14);2,4-5,17H,3H2,1H3,(H2,12,13,14);2-4H,1H3,(H2,11,15,16)(H2,12,13,14);6*1H4
• InChIKey: LEXXSNQXFXDUBY-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 560.78 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 8
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1642.37
LogP ≤ 5	11.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 159330669) is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is C.C.C.C.C.C.COc1cc(-c2nn(C)c3ncnc(N)c23)cs1.Cc1ncc(-c2nn(C)c3ncnc(N)c23)cn1.Cn1nc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc21.Cn1nc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21.Cn1nc(-c2cnc(N)nc2)c2c(N)ncnc21.Cn1nc(-c2csc(CO)c2)c2c(N)ncnc21.

What is the InChIKey of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is LEXXSNQXFXDUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6.C12H10ClN5O.C11H11N7.2C11H11N5OS.C10H10N8.6CH4/c1-20-14-11(13(15)17-7-18-14)12(19-20)9-3-2-8-4-5-16-10(8)6-9;1-18-12-9(11(14)15-5-16-12)10(17-18)6-2-3-7(13)8(19)4-6;1-6-13-3-7(4-14-6)9-8-10(12)15-5-16-11(8)18(2)17-9;1-16-11-8(10(12)13-5-14-11)9(15-16)6-3-7(17-2)18-4-6;1-16-11-8(10(12)13-5-14-11)9(15-16)6-2-7(3-17)18-4-6;1-18-9-6(8(11)15-4-16-9)7(17-18)5-2-13-10(12)14-3-5;;;;;;/h2-7,16H,1H3,(H2,15,17,18);2-5,19H,1H3,(H2,14,15,16);3-5H,1-2H3,(H2,12,15,16);3-5H,1-2H3,(H2,12,13,14);2,4-5,17H,3H2,1H3,(H2,12,13,14);2-4H,1H3,(H2,11,15,16)(H2,12,13,14);6*1H4.

What are the key properties of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1642.37 g/mol, XLogP of 11.43, 8 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159330669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).