3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

C19H28N4O4 — CID 72899926

IUPAC3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CN1CC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)CC1=O
InChIInChI=1S/C19H28N4O4/c1-13(2)11-23-12-19(9-16(23)25)4-6-22(7-5-19)15(24)8-14-10-20-18(27)21(3)17(14)26/h10,13H,4-9,11-12H2,1-3H3,(H,20,27)
InChIKeyKAHVWALCWPZPHD-UHFFFAOYSA-N
MW376.46 g/mol
LogP0.11
Rot. Bonds4

About 3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 72899926) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID72899926
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCC(C)CN1CC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)CC1=O
InChIInChI=1S/C19H28N4O4/c1-13(2)11-23-12-19(9-16(23)25)4-6-22(7-5-19)15(24)8-14-10-20-18(27)21(3)17(14)26/h10,13H,4-9,11-12H2,1-3H3,(H,20,27)
InChIKeyKAHVWALCWPZPHD-UHFFFAOYSA-N
XLogP0.11
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 72899926) is 3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is CC(C)CN1CC2(CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)CC1=O.
What is the InChIKey of 3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KAHVWALCWPZPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-13(2)11-23-12-19(9-16(23)25)4-6-22(7-5-19)15(24)8-14-10-20-18(27)21(3)17(14)26/h10,13H,4-9,11-12H2,1-3H3,(H,20,27).
What are the key properties of 3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 72899926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).