2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

C17H24N6O5 — CID 143146381

IUPAC2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCCN1C(=O)N(CC)C2(CCN(c3nc(C(N)=O)c(O)c(=O)n3C)CC2)C1=O
InChIInChI=1S/C17H24N6O5/c1-4-22-14(27)17(23(5-2)16(22)28)6-8-21(9-7-17)15-19-10(12(18)25)11(24)13(26)20(15)3/h24H,4-9H2,1-3H3,(H2,18,25)
InChIKeyAHAFKBSUQDFZAI-UHFFFAOYSA-N
MW392.42 g/mol
LogP-0.77
Rot. Bonds4

About 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 143146381) has the molecular formula C17H24N6O5 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
PubChem CID143146381
Molecular FormulaC17H24N6O5
Molecular Weight392.42 g/mol
Exact Mass392.18
IUPAC Name2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCCN1C(=O)N(CC)C2(CCN(c3nc(C(N)=O)c(O)c(=O)n3C)CC2)C1=O
InChIInChI=1S/C17H24N6O5/c1-4-22-14(27)17(23(5-2)16(22)28)6-8-21(9-7-17)15-19-10(12(18)25)11(24)13(26)20(15)3/h24H,4-9H2,1-3H3,(H2,18,25)
InChIKeyAHAFKBSUQDFZAI-UHFFFAOYSA-N
XLogP-0.77
TPSA142.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (CID 143146381) is 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is CCN1C(=O)N(CC)C2(CCN(c3nc(C(N)=O)c(O)c(=O)n3C)CC2)C1=O.
What is the InChIKey of 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is AHAFKBSUQDFZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O5/c1-4-22-14(27)17(23(5-2)16(22)28)6-8-21(9-7-17)15-19-10(12(18)25)11(24)13(26)20(15)3/h24H,4-9H2,1-3H3,(H2,18,25).
What are the key properties of 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 143146381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).