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

C8H12N2O2 — CID 12955129

IUPAC6-ethyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H12N2O2/c1-4-6-5-7(11)10(3)8(12)9(6)2/h5H,4H2,1-3H3
InChIKeyQNKZQCQEIPXNIL-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.35
Rot. Bonds1

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

6-ethyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 12955129) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-ethyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID12955129
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-ethyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H12N2O2/c1-4-6-5-7(11)10(3)8(12)9(6)2/h5H,4H2,1-3H3
InChIKeyQNKZQCQEIPXNIL-UHFFFAOYSA-N
XLogP-0.35
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 ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-1,3-dimethylpyrimidine-2,4-dione (CID 12955129) is 6-ethyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-1,3-dimethylpyrimidine-2,4-dione is CCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-ethyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QNKZQCQEIPXNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-6-5-7(11)10(3)8(12)9(6)2/h5H,4H2,1-3H3.
What are the key properties of 6-ethyl-1,3-dimethylpyrimidine-2,4-dione?
6-ethyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of -0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 12955129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).