6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione

C17H26N4O4 — CID 72940363

IUPAC6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCOCCCN1CC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)CC1=O
InChIInChI=1S/C17H26N4O4/c1-25-8-2-5-21-12-17(10-15(21)23)3-6-20(7-4-17)11-13-9-14(22)19-16(24)18-13/h9H,2-8,10-12H2,1H3,(H2,18,19,22,24)
InChIKeySTYQNUUVJHXBGM-UHFFFAOYSA-N
MW350.42 g/mol
LogP-0.09
Rot. Bonds6

About 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione

6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 72940363) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID72940363
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCOCCCN1CC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)CC1=O
InChIInChI=1S/C17H26N4O4/c1-25-8-2-5-21-12-17(10-15(21)23)3-6-20(7-4-17)11-13-9-14(22)19-16(24)18-13/h9H,2-8,10-12H2,1H3,(H2,18,19,22,24)
InChIKeySTYQNUUVJHXBGM-UHFFFAOYSA-N
XLogP-0.09
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione (CID 72940363) is 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione is COCCCN1CC2(CCN(Cc3cc(=O)[nH]c(=O)[nH]3)CC2)CC1=O.
What is the InChIKey of 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is STYQNUUVJHXBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-25-8-2-5-21-12-17(10-15(21)23)3-6-20(7-4-17)11-13-9-14(22)19-16(24)18-13/h9H,2-8,10-12H2,1H3,(H2,18,19,22,24).
What are the key properties of 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72940363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).