8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H25N5O4 — CID 70714261

IUPAC8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)NC(=O)C12CCN(C(=O)c1cnc(C(C)(C)C)[nH]c1=O)CC2
InChIInChI=1S/C18H25N5O4/c1-5-23-16(27)21-15(26)18(23)6-8-22(9-7-18)13(25)11-10-19-14(17(2,3)4)20-12(11)24/h10H,5-9H2,1-4H3,(H,19,20,24)(H,21,26,27)
InChIKeyPLXCHNYYWRSAHO-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.61
Rot. Bonds2

About 8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 70714261) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID70714261
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)NC(=O)C12CCN(C(=O)c1cnc(C(C)(C)C)[nH]c1=O)CC2
InChIInChI=1S/C18H25N5O4/c1-5-23-16(27)21-15(26)18(23)6-8-22(9-7-18)13(25)11-10-19-14(17(2,3)4)20-12(11)24/h10H,5-9H2,1-4H3,(H,19,20,24)(H,21,26,27)
InChIKeyPLXCHNYYWRSAHO-UHFFFAOYSA-N
XLogP0.61
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.61
H-Bond Donors ≤ 52
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-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 70714261) is 8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)NC(=O)C12CCN(C(=O)c1cnc(C(C)(C)C)[nH]c1=O)CC2.
What is the InChIKey of 8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is PLXCHNYYWRSAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-5-23-16(27)21-15(26)18(23)6-8-22(9-7-18)13(25)11-10-19-14(17(2,3)4)20-12(11)24/h10H,5-9H2,1-4H3,(H,19,20,24)(H,21,26,27).
What are the key properties of 8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 375.43 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-tert-butyl-6-oxo-1H-pyrimidine-5-carbonyl)-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 70714261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).