(2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

C19H30N4O6 — CID 11281315

About (2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol

(2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (PubChem CID 11281315) has the molecular formula C19H30N4O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
• PubChem CID: 11281315
• Molecular Formula: C19H30N4O6
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.22
• IUPAC Name: (2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
• SMILES: CC(C)OC(OC(C)C)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c2ncnc(N)c12
• InChI: InChI=1S/C19H30N4O6/c1-9(2)27-17(28-10(3)4)11-6-23(16-13(11)15(20)21-8-22-16)18-19(5,26)14(25)12(7-24)29-18/h6,8-10,12,14,17-18,24-26H,7H2,1-5H3,(H2,20,21,22)/t12-,14-,18-,19-/m1/s1
• InChIKey: MCUXYXLFJBVLDD-NCGUTPBLSA-N
• XLogP: 0.86
• TPSA: 145.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?

The IUPAC name of (2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol (CID 11281315) is (2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol.

What is the SMILES notation for (2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?

The canonical SMILES for (2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is CC(C)OC(OC(C)C)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@]2(C)O)c2ncnc(N)c12.

What is the InChIKey of (2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?

The InChIKey is MCUXYXLFJBVLDD-NCGUTPBLSA-N. The full InChI is InChI=1S/C19H30N4O6/c1-9(2)27-17(28-10(3)4)11-6-23(16-13(11)15(20)21-8-22-16)18-19(5,26)14(25)12(7-24)29-18/h6,8-10,12,14,17-18,24-26H,7H2,1-5H3,(H2,20,21,22)/t12-,14-,18-,19-/m1/s1.

What are the key properties of (2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol?

(2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol has a molecular weight of 410.47 g/mol, XLogP of 0.86, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4R,5R)-2-[4-amino-5-[di(propan-2-yloxy)methyl]pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol is sourced from PubChem (CID 11281315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).