ethane;5-ethyl-1-methylpyrimidine-2,4-dione

C9H16N2O2 — CID 166074959

IUPACethane;5-ethyl-1-methylpyrimidine-2,4-dione
SMILESCC.CCc1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O2.C2H6/c1-3-5-4-9(2)7(11)8-6(5)10;1-2/h4H,3H2,1-2H3,(H,8,10,11);1-2H3
InChIKeyXZKKQSVQKANEBT-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.66
Rot. Bonds1

About ethane;5-ethyl-1-methylpyrimidine-2,4-dione

ethane;5-ethyl-1-methylpyrimidine-2,4-dione (PubChem CID 166074959) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is ethane;5-ethyl-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Nameethane;5-ethyl-1-methylpyrimidine-2,4-dione
PubChem CID166074959
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Nameethane;5-ethyl-1-methylpyrimidine-2,4-dione
SMILESCC.CCc1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O2.C2H6/c1-3-5-4-9(2)7(11)8-6(5)10;1-2/h4H,3H2,1-2H3,(H,8,10,11);1-2H3
InChIKeyXZKKQSVQKANEBT-UHFFFAOYSA-N
XLogP0.66
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1-methylpyrimidine-2,4-dione?
The IUPAC name of ethane;5-ethyl-1-methylpyrimidine-2,4-dione (CID 166074959) is ethane;5-ethyl-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for ethane;5-ethyl-1-methylpyrimidine-2,4-dione?
The canonical SMILES for ethane;5-ethyl-1-methylpyrimidine-2,4-dione is CC.CCc1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of ethane;5-ethyl-1-methylpyrimidine-2,4-dione?
The InChIKey is XZKKQSVQKANEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.C2H6/c1-3-5-4-9(2)7(11)8-6(5)10;1-2/h4H,3H2,1-2H3,(H,8,10,11);1-2H3.
What are the key properties of ethane;5-ethyl-1-methylpyrimidine-2,4-dione?
ethane;5-ethyl-1-methylpyrimidine-2,4-dione has a molecular weight of 184.24 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 166074959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).