3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H18N4O2 — CID 107590294

IUPAC3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1C(=O)NC2(CCCCC2)C(=O)N1c1cncnc1
InChIInChI=1S/C14H18N4O2/c1-10-12(19)17-14(5-3-2-4-6-14)13(20)18(10)11-7-15-9-16-8-11/h7-10H,2-6H2,1H3,(H,17,19)
InChIKeyQUMVYRGJLSGYNY-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.03
Rot. Bonds1

About 3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 107590294) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID107590294
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC1C(=O)NC2(CCCCC2)C(=O)N1c1cncnc1
InChIInChI=1S/C14H18N4O2/c1-10-12(19)17-14(5-3-2-4-6-14)13(20)18(10)11-7-15-9-16-8-11/h7-10H,2-6H2,1H3,(H,17,19)
InChIKeyQUMVYRGJLSGYNY-UHFFFAOYSA-N
XLogP1.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64962592
9-(4-bromophenyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64962604
9-(3-chloro-5-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107370938
9-(3-bromophenyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961543
8-methyl-9-(2-methyl-3-pyridinyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 79043870
3-methyl-4-(1-methylcyclohexyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64968199
4-(cyclopropylmethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887432
9-(cyclohexylmethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886872
3-methyl-4-[(2-methylcyclopentyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107420986
3-methyl-4-(2,3,3-trimethylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 83145037
3-ethyl-4-phenyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958744
8-methyl-9-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886681

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 107590294) is 3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC1C(=O)NC2(CCCCC2)C(=O)N1c1cncnc1.
What is the InChIKey of 3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is QUMVYRGJLSGYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-12(19)17-14(5-3-2-4-6-14)13(20)18(10)11-7-15-9-16-8-11/h7-10H,2-6H2,1H3,(H,17,19).
What are the key properties of 3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pyrimidin-5-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 107590294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).