2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione

C12H14N4O2 — CID 155790127

IUPAC2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCN(c3ncccn3)C2)C(=O)N1
InChIInChI=1S/C12H14N4O2/c17-9-2-3-12(10(18)15-9)4-7-16(8-12)11-13-5-1-6-14-11/h1,5-6H,2-4,7-8H2,(H,15,17,18)
InChIKeyQYZNHSPBPSCIKZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.11
Rot. Bonds1

About 2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione

2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione (PubChem CID 155790127) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione.

Molecular Properties

Compound Name2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione
PubChem CID155790127
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCN(c3ncccn3)C2)C(=O)N1
InChIInChI=1S/C12H14N4O2/c17-9-2-3-12(10(18)15-9)4-7-16(8-12)11-13-5-1-6-14-11/h1,5-6H,2-4,7-8H2,(H,15,17,18)
InChIKeyQYZNHSPBPSCIKZ-UHFFFAOYSA-N
XLogP0.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
9-pyrimidin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
CID 97370786
1-pyrimidin-2-yl-1,3-diazinane-2,4-dione
CID 70200878
7-(4-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 140585780
(5R)-2-[(3-methoxyphenyl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451671
7-[3-(piperidine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70748783
2-cyclopropyl-1'-pyrimidin-2-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155502439
7-(2-cyclohexylethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 45212678
2-prop-2-enyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97370217
(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490113
2-(1-methylpyrazol-4-yl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131651201
2-[5-(piperazine-1-carbonyl)-2-pyridinyl]-2,7-diazaspiro[4.6]undecane-6,8-dione
CID 171844161

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione?
The IUPAC name of 2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione (CID 155790127) is 2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione.
What is the SMILES notation for 2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione?
The canonical SMILES for 2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione is O=C1CCC2(CCN(c3ncccn3)C2)C(=O)N1.
What is the InChIKey of 2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione?
The InChIKey is QYZNHSPBPSCIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-9-2-3-12(10(18)15-9)4-7-16(8-12)11-13-5-1-6-14-11/h1,5-6H,2-4,7-8H2,(H,15,17,18).
What are the key properties of 2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione?
2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione has a molecular weight of 246.27 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-6,8-dione is sourced from PubChem (CID 155790127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).