8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C15H19N5O5 — CID 56809748

IUPAC8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C15H19N5O5/c1-8-9(11(22)17-13(24)16-8)2-3-10(21)20-6-4-15(5-7-20)12(23)18-14(25)19-15/h2-7H2,1H3,(H2,16,17,22,24)(H2,18,19,23,25)
InChIKeyCBSXACIHOASEOI-UHFFFAOYSA-N
MW349.35 g/mol
LogP-1.50
Rot. Bonds3

About 8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 56809748) has the molecular formula C15H19N5O5 and a molecular weight of 349.35 g/mol. Its IUPAC name is 8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID56809748
Molecular FormulaC15H19N5O5
Molecular Weight349.35 g/mol
Exact Mass349.14
IUPAC Name8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C15H19N5O5/c1-8-9(11(22)17-13(24)16-8)2-3-10(21)20-6-4-15(5-7-20)12(23)18-14(25)19-15/h2-7H2,1H3,(H2,16,17,22,24)(H2,18,19,23,25)
InChIKeyCBSXACIHOASEOI-UHFFFAOYSA-N
XLogP-1.50
TPSA144.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 56809748) is 8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CBSXACIHOASEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5/c1-8-9(11(22)17-13(24)16-8)2-3-10(21)20-6-4-15(5-7-20)12(23)18-14(25)19-15/h2-7H2,1H3,(H2,16,17,22,24)(H2,18,19,23,25).
What are the key properties of 8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 349.35 g/mol, XLogP of -1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 56809748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).