4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H18N4O2 — CID 64878815

IUPAC4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(Cc2ncccn2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C14H18N4O2/c19-12-10-18(9-11-15-7-4-8-16-11)13(20)14(17-12)5-2-1-3-6-14/h4,7-8H,1-3,5-6,9-10H2,(H,17,19)
InChIKeyMZWNPKJXIVDIKI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.64
Rot. Bonds2

About 4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64878815) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64878815
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(Cc2ncccn2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C14H18N4O2/c19-12-10-18(9-11-15-7-4-8-16-11)13(20)14(17-12)5-2-1-3-6-14/h4,7-8H,1-3,5-6,9-10H2,(H,17,19)
InChIKeyMZWNPKJXIVDIKI-UHFFFAOYSA-N
XLogP0.64
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-thiazol-4-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64971142
4-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64879190
9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880018
9-[(2-methyl-1,3-thiazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64965860
4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 114957798
9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106383679
9-prop-2-ynyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64963783
9-[(3-bromo-5-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 79697955
9-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960256
11-(1,3-thiazol-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane-8,12-dione
CID 64965803
9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880199
9-(2-thiophen-2-ylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64879048

Frequently Asked Questions

What is the IUPAC name of 4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64878815) is 4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is O=C1CN(Cc2ncccn2)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is MZWNPKJXIVDIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-12-10-18(9-11-15-7-4-8-16-11)13(20)14(17-12)5-2-1-3-6-14/h4,7-8H,1-3,5-6,9-10H2,(H,17,19).
What are the key properties of 4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrimidin-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64878815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).