3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C18H28N6O3 — CID 166616059

IUPAC3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCNc1cncc(N2CCC3(CC2)C(=O)N(CCO)C(=O)N3CC(C)C)n1
InChIInChI=1S/C18H28N6O3/c1-13(2)12-24-17(27)23(8-9-25)16(26)18(24)4-6-22(7-5-18)15-11-20-10-14(19-3)21-15/h10-11,13,25H,4-9,12H2,1-3H3,(H,19,21)
InChIKeyJSMSSSBFKYTARB-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.77
Rot. Bonds6

About 3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 166616059) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID166616059
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC Name3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCNc1cncc(N2CCC3(CC2)C(=O)N(CCO)C(=O)N3CC(C)C)n1
InChIInChI=1S/C18H28N6O3/c1-13(2)12-24-17(27)23(8-9-25)16(26)18(24)4-6-22(7-5-18)15-11-20-10-14(19-3)21-15/h10-11,13,25H,4-9,12H2,1-3H3,(H,19,21)
InChIKeyJSMSSSBFKYTARB-UHFFFAOYSA-N
XLogP0.77
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyl)-1-(2-methylpropyl)-8-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166614281
formic acid;3-(2-hydroxyethyl)-8-(1H-imidazole-5-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 171322569
8-(5-fluoro-2-pyridinyl)-1,3-bis(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166617513
N-methyl-2-[1-(2-methylpropyl)-8-(6-methylpyridazin-3-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 166622544
3-(3-hydroxypropyl)-8-(5-methyl-1,2-oxazole-3-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166613177
1-[4-[6-(methylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 80766880
3-methyl-1-[6-(methylamino)pyrazin-2-yl]pyrrolidine-3-carboxamide
CID 114082567
3-(3-methoxypropyl)-8-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166614587
2-[4-[6-(ethylamino)pyrazin-2-yl]piperazin-1-yl]ethanol
CID 78990415
8-(1,3-benzoxazol-2-yl)-3-(3-methoxypropyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166617238
3-methyl-1-(2-methylpropyl)-8-(pyridazine-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165428440
8-(4-aminopyrimidin-2-yl)-3-(cyclopropylmethyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166615837

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 166616059) is 3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CNc1cncc(N2CCC3(CC2)C(=O)N(CCO)C(=O)N3CC(C)C)n1.
What is the InChIKey of 3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is JSMSSSBFKYTARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-13(2)12-24-17(27)23(8-9-25)16(26)18(24)4-6-22(7-5-18)15-11-20-10-14(19-3)21-15/h10-11,13,25H,4-9,12H2,1-3H3,(H,19,21).
What are the key properties of 3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-8-[6-(methylamino)pyrazin-2-yl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 166616059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).