3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione

C9H14N2O2 — CID 21355392

IUPAC3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C)c(C)n(C)c1=O
InChIInChI=1S/C9H14N2O2/c1-5-11-8(12)6(2)7(3)10(4)9(11)13/h5H2,1-4H3
InChIKeyYYQKTRAFHSVWGO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.18
Rot. Bonds1

About 3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione

3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione (PubChem CID 21355392) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione
PubChem CID21355392
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione
SMILESCCn1c(=O)c(C)c(C)n(C)c1=O
InChIInChI=1S/C9H14N2O2/c1-5-11-8(12)6(2)7(3)10(4)9(11)13/h5H2,1-4H3
InChIKeyYYQKTRAFHSVWGO-UHFFFAOYSA-N
XLogP0.18
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione (CID 21355392) is 3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione is CCn1c(=O)c(C)c(C)n(C)c1=O.
What is the InChIKey of 3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione?
The InChIKey is YYQKTRAFHSVWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5-11-8(12)6(2)7(3)10(4)9(11)13/h5H2,1-4H3.
What are the key properties of 3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione?
3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 21355392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).