(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine

C49H62N24O5 — CID 159335563

About (2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine

(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine (PubChem CID 159335563) has the molecular formula C49H62N24O5 and a molecular weight of 1067.20 g/mol. Its IUPAC name is (2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: (2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine
• PubChem CID: 159335563
• Molecular Formula: C49H62N24O5
• Molecular Weight: 1067.20 g/mol
• Exact Mass: 1066.53
• IUPAC Name: (2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine
• SMILES: CCC(C)n1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.C[C@@H](CO)n1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.C[C@H](CO)n1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
• InChI: InChI=1S/C17H22N8O.2C16H20N8O2/c1-3-11(2)25-15-13(10-21-25)14(12-8-19-16(18)20-9-12)22-17(23-15)24-4-6-26-7-5-24;2*1-10(9-25)24-14-12(8-20-24)13(11-6-18-15(17)19-7-11)21-16(22-14)23-2-4-26-5-3-23/h8-11H,3-7H2,1-2H3,(H2,18,19,20);2*6-8,10,25H,2-5,9H2,1H3,(H2,17,18,19)/t;2*10-/m.10/s1
• InChIKey: LFMGSYUVIFTGNY-SCRBEDTGSA-N
• XLogP: 2.18
• TPSA: 364.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 12
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1067.20
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine?

The IUPAC name of (2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine (CID 159335563) is (2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine.

What is the SMILES notation for (2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine?

The canonical SMILES for (2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine is CCC(C)n1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.C[C@@H](CO)n1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.C[C@H](CO)n1ncc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.

What is the InChIKey of (2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine?

The InChIKey is LFMGSYUVIFTGNY-SCRBEDTGSA-N. The full InChI is InChI=1S/C17H22N8O.2C16H20N8O2/c1-3-11(2)25-15-13(10-21-25)14(12-8-19-16(18)20-9-12)22-17(23-15)24-4-6-26-7-5-24;2*1-10(9-25)24-14-12(8-20-24)13(11-6-18-15(17)19-7-11)21-16(22-14)23-2-4-26-5-3-23/h8-11H,3-7H2,1-2H3,(H2,18,19,20);2*6-8,10,25H,2-5,9H2,1H3,(H2,17,18,19)/t;2*10-/m.10/s1.

What are the key properties of (2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine?

(2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine has a molecular weight of 1067.20 g/mol, XLogP of 2.18, 12 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;(2S)-2-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;5-(1-butan-2-yl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 159335563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).