(2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one

C24H33N7O2 — CID 155350687

About (2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one

(2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one (PubChem CID 155350687) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one.

Molecular Properties

• Compound Name: (2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one
• PubChem CID: 155350687
• Molecular Formula: C24H33N7O2
• Molecular Weight: 451.58 g/mol
• Exact Mass: 451.27
• IUPAC Name: (2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one
• SMILES: Cc1cccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CN(C(=O)[C@H](N)CC(C)C)C3)c1
• InChI: InChI=1S/C24H33N7O2/c1-16(2)11-20(25)23(32)31-14-19-21(15-31)27-24(28-22(19)30-7-9-33-10-8-30)29-26-13-18-6-4-5-17(3)12-18/h4-6,12-13,16,20H,7-11,14-15,25H2,1-3H3,(H,27,28,29)/b26-13+/t20-/m1/s1
• InChIKey: YCONQQDYTZYGAO-VEDIRDOVSA-N
• XLogP: 2.28
• TPSA: 108.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.58
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one?

The IUPAC name of (2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one (CID 155350687) is (2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one.

What is the SMILES notation for (2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one?

The canonical SMILES for (2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one is Cc1cccc(/C=N/Nc2nc3c(c(N4CCOCC4)n2)CN(C(=O)[C@H](N)CC(C)C)C3)c1.

What is the InChIKey of (2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one?

The InChIKey is YCONQQDYTZYGAO-VEDIRDOVSA-N. The full InChI is InChI=1S/C24H33N7O2/c1-16(2)11-20(25)23(32)31-14-19-21(15-31)27-24(28-22(19)30-7-9-33-10-8-30)29-26-13-18-6-4-5-17(3)12-18/h4-6,12-13,16,20H,7-11,14-15,25H2,1-3H3,(H,27,28,29)/b26-13+/t20-/m1/s1.

What are the key properties of (2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one?

(2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one has a molecular weight of 451.58 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-4-methyl-1-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-morpholin-4-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]pentan-1-one is sourced from PubChem (CID 155350687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).