5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione

C13H20N2O3 — CID 82927913

IUPAC5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione
SMILESCCC(CC)Cn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C13H20N2O3/c1-5-10(6-2)7-15-8-11(9(3)16)12(17)14(4)13(15)18/h8,10H,5-7H2,1-4H3
InChIKeyXRZVVCOSTCESNW-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.19
Rot. Bonds5

About 5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione

5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione (PubChem CID 82927913) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione
PubChem CID82927913
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione
SMILESCCC(CC)Cn1cc(C(C)=O)c(=O)n(C)c1=O
InChIInChI=1S/C13H20N2O3/c1-5-10(6-2)7-15-8-11(9(3)16)12(17)14(4)13(15)18/h8,10H,5-7H2,1-4H3
InChIKeyXRZVVCOSTCESNW-UHFFFAOYSA-N
XLogP1.19
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Acetyl-1-nonylpyrimidine-2,4-dione
CID 1815215
5-Acetyl-1-octylpyrimidine-2,4-dione
CID 5090858
5-acetyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 899353
5-acetyl-1-isopentylpyrimidine-2,4(1H,3H)-dione
CID 901795
5-Acetyl-3-methyl-1-octan-2-ylpyrimidine-2,4-dione
CID 4196548
5-acetyl-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 1483607
1,3-Dimethyl-5-isopropyluracil
CID 53658421
5-Acetyl-3-ethylpyrimidine-2,4(1h,3h)-dione
CID 80643763
5-Acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione
CID 80649445
5-Acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 80649874
5-Acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 80649965
5-Acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione
CID 80694434

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione (CID 82927913) is 5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione is CCC(CC)Cn1cc(C(C)=O)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione?
The InChIKey is XRZVVCOSTCESNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-10(6-2)7-15-8-11(9(3)16)12(17)14(4)13(15)18/h8,10H,5-7H2,1-4H3.
What are the key properties of 5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione?
5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione has a molecular weight of 252.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(2-ethylbutyl)-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 82927913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).