6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C11H13N5O2 — CID 123280281

IUPAC6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCNCC2c2ncccn2)N1
InChIInChI=1S/C11H13N5O2/c17-9-11(16-10(18)15-9)2-5-12-6-7(11)8-13-3-1-4-14-8/h1,3-4,7,12H,2,5-6H2,(H2,15,16,17,18)
InChIKeyTWMJAGPNLOMVIJ-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.87
Rot. Bonds1

About 6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 123280281) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID123280281
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCNCC2c2ncccn2)N1
InChIInChI=1S/C11H13N5O2/c17-9-11(16-10(18)15-9)2-5-12-6-7(11)8-13-3-1-4-14-8/h1,3-4,7,12H,2,5-6H2,(H2,15,16,17,18)
InChIKeyTWMJAGPNLOMVIJ-UHFFFAOYSA-N
XLogP-0.87
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
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 6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 123280281) is 6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCNCC2c2ncccn2)N1.
What is the InChIKey of 6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is TWMJAGPNLOMVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-9-11(16-10(18)15-9)2-5-12-6-7(11)8-13-3-1-4-14-8/h1,3-4,7,12H,2,5-6H2,(H2,15,16,17,18).
What are the key properties of 6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 247.26 g/mol, XLogP of -0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 123280281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).