ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

C23H29N5O7 — CID 55478911

About ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 55478911) has the molecular formula C23H29N5O7 and a molecular weight of 487.51 g/mol. Its IUPAC name is ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
• PubChem CID: 55478911
• Molecular Formula: C23H29N5O7
• Molecular Weight: 487.51 g/mol
• Exact Mass: 487.21
• IUPAC Name: ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
• SMILES: CCOC(=O)c1c(C)oc2nc(COC(=O)CN3C(=O)NC4(CCC(CC)CC4)C3=O)nc(N)c12
• InChI: InChI=1S/C23H29N5O7/c1-4-13-6-8-23(9-7-13)21(31)28(22(32)27-23)10-15(29)34-11-14-25-18(24)17-16(20(30)33-5-2)12(3)35-19(17)26-14/h13H,4-11H2,1-3H3,(H,27,32)(H2,24,25,26)
• InChIKey: PKGQLZBCOOLHTF-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 166.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.51
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?

The IUPAC name of ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 55478911) is ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?

The canonical SMILES for ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(COC(=O)CN3C(=O)NC4(CCC(CC)CC4)C3=O)nc(N)c12.

What is the InChIKey of ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?

The InChIKey is PKGQLZBCOOLHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O7/c1-4-13-6-8-23(9-7-13)21(31)28(22(32)27-23)10-15(29)34-11-14-25-18(24)17-16(20(30)33-5-2)12(3)35-19(17)26-14/h13H,4-11H2,1-3H3,(H,27,32)(H2,24,25,26).

What are the key properties of ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?

ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 487.51 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-amino-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 55478911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).