6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine

C24H30N8O4 — CID 175908410

About 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine

6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 175908410) has the molecular formula C24H30N8O4 and a molecular weight of 494.56 g/mol. Its IUPAC name is 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

• Compound Name: 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine
• PubChem CID: 175908410
• Molecular Formula: C24H30N8O4
• Molecular Weight: 494.56 g/mol
• Exact Mass: 494.24
• IUPAC Name: 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine
• SMILES: COc1cc(N2CCOCC2)ccc1C1(N)N/C(=N\C2CCOCC2)c2c(n[nH]c2-c2ncco2)N1
• InChI: InChI=1S/C24H30N8O4/c1-33-18-14-16(32-7-12-35-13-8-32)2-3-17(18)24(25)28-21(27-15-4-9-34-10-5-15)19-20(23-26-6-11-36-23)30-31-22(19)29-24/h2-3,6,11,14-15H,4-5,7-10,12-13,25H2,1H3,(H,27,28)(H2,29,30,31)
• InChIKey: SDIQFODMUJBBPH-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 148.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.56
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine?

The IUPAC name of 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 175908410) is 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

What is the SMILES notation for 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine?

The canonical SMILES for 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine is COc1cc(N2CCOCC2)ccc1C1(N)N/C(=N\C2CCOCC2)c2c(n[nH]c2-c2ncco2)N1.

What is the InChIKey of 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine?

The InChIKey is SDIQFODMUJBBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O4/c1-33-18-14-16(32-7-12-35-13-8-32)2-3-17(18)24(25)28-21(27-15-4-9-34-10-5-15)19-20(23-26-6-11-36-23)30-31-22(19)29-24/h2-3,6,11,14-15H,4-5,7-10,12-13,25H2,1H3,(H,27,28)(H2,29,30,31).

What are the key properties of 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine?

6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 494.56 g/mol, XLogP of 1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-(1,3-oxazol-2-yl)-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 175908410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).