5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione

C14H22N2O3 — CID 43161191

IUPAC5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCC(CC)C(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N2O3/c1-5-7-8-10(6-2)12(17)11-9-15(3)14(19)16(4)13(11)18/h9-10H,5-8H2,1-4H3
InChIKeyFYWJFXIWLRSGAH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.48
Rot. Bonds6

About 5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione

5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43161191) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43161191
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCC(CC)C(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N2O3/c1-5-7-8-10(6-2)12(17)11-9-15(3)14(19)16(4)13(11)18/h9-10H,5-8H2,1-4H3
InChIKeyFYWJFXIWLRSGAH-UHFFFAOYSA-N
XLogP1.48
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione (CID 43161191) is 5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione is CCCCC(CC)C(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is FYWJFXIWLRSGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-7-8-10(6-2)12(17)11-9-15(3)14(19)16(4)13(11)18/h9-10H,5-8H2,1-4H3.
What are the key properties of 5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 266.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylhexanoyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43161191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).