3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione

C11H12N4O2 — CID 122239145

IUPAC3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(-c2cnc(C)cn2)[nH]c1=O
InChIInChI=1S/C11H12N4O2/c1-3-15-10(16)4-8(14-11(15)17)9-6-12-7(2)5-13-9/h4-6H,3H2,1-2H3,(H,14,17)
InChIKeyLSHDIXXRZDVYTE-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.32
Rot. Bonds2

About 3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione

3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 122239145) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID122239145
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)cc(-c2cnc(C)cn2)[nH]c1=O
InChIInChI=1S/C11H12N4O2/c1-3-15-10(16)4-8(14-11(15)17)9-6-12-7(2)5-13-9/h4-6H,3H2,1-2H3,(H,14,17)
InChIKeyLSHDIXXRZDVYTE-UHFFFAOYSA-N
XLogP0.32
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione (CID 122239145) is 3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione is CCn1c(=O)cc(-c2cnc(C)cn2)[nH]c1=O.
What is the InChIKey of 3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is LSHDIXXRZDVYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-3-15-10(16)4-8(14-11(15)17)9-6-12-7(2)5-13-9/h4-6H,3H2,1-2H3,(H,14,17).
What are the key properties of 3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione?
3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 232.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(5-methylpyrazin-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 122239145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).