1-ethyl-3,6-dimethylpyrimidine-2,4-dione

C8H12N2O2 — CID 10866731

IUPAC1-ethyl-3,6-dimethylpyrimidine-2,4-dione
SMILESCCn1c(C)cc(=O)n(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-4-10-6(2)5-7(11)9(3)8(10)12/h5H,4H2,1-3H3
InChIKeyYEMOSDIWPOFYPJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.12
Rot. Bonds1

About 1-ethyl-3,6-dimethylpyrimidine-2,4-dione

1-ethyl-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 10866731) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-ethyl-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3,6-dimethylpyrimidine-2,4-dione
PubChem CID10866731
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-ethyl-3,6-dimethylpyrimidine-2,4-dione
SMILESCCn1c(C)cc(=O)n(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-4-10-6(2)5-7(11)9(3)8(10)12/h5H,4H2,1-3H3
InChIKeyYEMOSDIWPOFYPJ-UHFFFAOYSA-N
XLogP-0.12
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3,6-dimethylpyrimidine-2,4-dione (CID 10866731) is 1-ethyl-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3,6-dimethylpyrimidine-2,4-dione is CCn1c(C)cc(=O)n(C)c1=O.
What is the InChIKey of 1-ethyl-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is YEMOSDIWPOFYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-10-6(2)5-7(11)9(3)8(10)12/h5H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,6-dimethylpyrimidine-2,4-dione?
1-ethyl-3,6-dimethylpyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of -0.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 10866731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).