(1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C24H33N5O6 — CID 62707461

About (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 62707461) has the molecular formula C24H33N5O6 and a molecular weight of 487.56 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

• Compound Name: (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
• PubChem CID: 62707461
• Molecular Formula: C24H33N5O6
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.24
• IUPAC Name: (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
• SMILES: CCOc1cc2cc(-c3c(C)nc(NCCOC)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1
• InChI: InChI=1S/C24H33N5O6/c1-5-34-18-10-14-9-17(35-22(14)13(3)26-18)19-12(2)27-24(25-6-7-33-4)29-23(19)28-16-8-15(11-30)20(31)21(16)32/h9-10,15-16,20-21,30-32H,5-8,11H2,1-4H3,(H2,25,27,28,29)/t15-,16-,20-,21+/m1/s1
• InChIKey: WGAIINYIRQHBLO-NBJYBMASSA-N
• XLogP: 1.87
• TPSA: 155.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?

The IUPAC name of (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 62707461) is (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

What is the SMILES notation for (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?

The canonical SMILES for (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is CCOc1cc2cc(-c3c(C)nc(NCCOC)nc3N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)oc2c(C)n1.

What is the InChIKey of (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?

The InChIKey is WGAIINYIRQHBLO-NBJYBMASSA-N. The full InChI is InChI=1S/C24H33N5O6/c1-5-34-18-10-14-9-17(35-22(14)13(3)26-18)19-12(2)27-24(25-6-7-33-4)29-23(19)28-16-8-15(11-30)20(31)21(16)32/h9-10,15-16,20-21,30-32H,5-8,11H2,1-4H3,(H2,25,27,28,29)/t15-,16-,20-,21+/m1/s1.

What are the key properties of (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?

(1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 487.56 g/mol, XLogP of 1.87, 10 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,3R,5R)-3-[[5-(5-ethoxy-7-methylfuro[2,3-c]pyridin-2-yl)-2-(2-methoxyethylamino)-6-methylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 62707461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).