5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione

C16H24N2O3 — CID 102901058

IUPAC5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CC2CCC3(CCCCC3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N2O3/c1-2-12-10-18(15(20)17-14(12)19)11-13-6-9-16(21-13)7-4-3-5-8-16/h10,13H,2-9,11H2,1H3,(H,17,19,20)
InChIKeyZBNGYVIEWKMNHD-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.98
Rot. Bonds3

About 5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione

5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 102901058) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID102901058
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CC2CCC3(CCCCC3)O2)c(=O)[nH]c1=O
InChIInChI=1S/C16H24N2O3/c1-2-12-10-18(15(20)17-14(12)19)11-13-6-9-16(21-13)7-4-3-5-8-16/h10,13H,2-9,11H2,1H3,(H,17,19,20)
InChIKeyZBNGYVIEWKMNHD-UHFFFAOYSA-N
XLogP1.98
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione (CID 102901058) is 5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione is CCc1cn(CC2CCC3(CCCCC3)O2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is ZBNGYVIEWKMNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-12-10-18(15(20)17-14(12)19)11-13-6-9-16(21-13)7-4-3-5-8-16/h10,13H,2-9,11H2,1H3,(H,17,19,20).
What are the key properties of 5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione?
5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 292.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 102901058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).