N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide

C23H36N6O5 — CID 30969925

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide (PubChem CID 30969925) has the molecular formula C23H36N6O5 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

• Compound Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide
• PubChem CID: 30969925
• Molecular Formula: C23H36N6O5
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.27
• IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide
• SMILES: CC(C)CN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
• InChI: InChI=1S/C23H36N6O5/c1-14(2)11-27(17-18(24)28(12-15(3)4)21(33)25-19(17)31)16(30)13-29-20(32)23(26(5)22(29)34)9-7-6-8-10-23/h14-15H,6-13,24H2,1-5H3,(H,25,31,33)
• InChIKey: RFEUHQMHFFPJCD-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 141.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide?

The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide (CID 30969925) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide.

What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide?

The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide is CC(C)CN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.

What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide?

The InChIKey is RFEUHQMHFFPJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O5/c1-14(2)11-27(17-18(24)28(12-15(3)4)21(33)25-19(17)31)16(30)13-29-20(32)23(26(5)22(29)34)9-7-6-8-10-23/h14-15H,6-13,24H2,1-5H3,(H,25,31,33).

What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide?

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 476.58 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 30969925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).