8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H17N5O2 — CID 154829225

IUPAC8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(C)nc(N2CCC3(CC2)NC(=O)NC3=O)n1
InChIInChI=1S/C13H17N5O2/c1-8-7-9(2)15-11(14-8)18-5-3-13(4-6-18)10(19)16-12(20)17-13/h7H,3-6H2,1-2H3,(H2,16,17,19,20)
InChIKeyAAJQHJHEXKXGAV-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.27
Rot. Bonds1

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

8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 154829225) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID154829225
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cc(C)nc(N2CCC3(CC2)NC(=O)NC3=O)n1
InChIInChI=1S/C13H17N5O2/c1-8-7-9(2)15-11(14-8)18-5-3-13(4-6-18)10(19)16-12(20)17-13/h7H,3-6H2,1-2H3,(H2,16,17,19,20)
InChIKeyAAJQHJHEXKXGAV-UHFFFAOYSA-N
XLogP0.27
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-(4,6-dimethylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 131850054
8-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 21350625
8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate
CID 154701034
1-(4,6-dimethylpyrimidin-2-yl)-N,4-dimethylpiperidin-4-amine
CID 113283149
8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154829409
1,4-bis(4,6-dimethylpyrimidin-2-yl)-1,4-diazepane
CID 99786904
8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47445313
4-amino-1-(4-methylphenyl)piperidine-4-carboxylic acid;8-(4-methylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 160939165
8-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79164760
bis[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 150598584
2-(4,4-difluoropiperidin-1-yl)-4-isocyano-6-methylpyrimidine
CID 177282932
7-(4,6-dimethylpyrimidin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 71971617

Frequently Asked Questions

What is the IUPAC name of 8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 154829225) is 8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1cc(C)nc(N2CCC3(CC2)NC(=O)NC3=O)n1.
What is the InChIKey of 8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is AAJQHJHEXKXGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-8-7-9(2)15-11(14-8)18-5-3-13(4-6-18)10(19)16-12(20)17-13/h7H,3-6H2,1-2H3,(H2,16,17,19,20).
What are the key properties of 8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 275.31 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-dimethylpyrimidin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 154829225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).