[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate

C18H29N3O6 — CID 165143765

About [(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate

[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate (PubChem CID 165143765) has the molecular formula C18H29N3O6 and a molecular weight of 383.45 g/mol. Its IUPAC name is [(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate.

Molecular Properties

• Compound Name: [(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate
• PubChem CID: 165143765
• Molecular Formula: C18H29N3O6
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.21
• IUPAC Name: [(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate
• SMILES: COC(C)(C)O[C@H]1C(n2ccc(N)nc2=O)OC(COC(=O)C(C)C)[C@H]1C
• InChI: InChI=1S/C18H29N3O6/c1-10(2)16(22)25-9-12-11(3)14(27-18(4,5)24-6)15(26-12)21-8-7-13(19)20-17(21)23/h7-8,10-12,14-15H,9H2,1-6H3,(H2,19,20,23)/t11-,12?,14-,15?/m1/s1
• InChIKey: IJDNRMNYTAFNTL-CDMIUOQYSA-N
• XLogP: 1.33
• TPSA: 114.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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 [(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate?

The IUPAC name of [(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate (CID 165143765) is [(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate.

What is the SMILES notation for [(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate?

The canonical SMILES for [(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate is COC(C)(C)O[C@H]1C(n2ccc(N)nc2=O)OC(COC(=O)C(C)C)[C@H]1C.

What is the InChIKey of [(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate?

The InChIKey is IJDNRMNYTAFNTL-CDMIUOQYSA-N. The full InChI is InChI=1S/C18H29N3O6/c1-10(2)16(22)25-9-12-11(3)14(27-18(4,5)24-6)15(26-12)21-8-7-13(19)20-17(21)23/h7-8,10-12,14-15H,9H2,1-6H3,(H2,19,20,23)/t11-,12?,14-,15?/m1/s1.

What are the key properties of [(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate?

[(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate has a molecular weight of 383.45 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 165143765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).