4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one

C11H12N4O2 — CID 137012354

IUPAC4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(OC)nn2)n1
InChIInChI=1S/C11H12N4O2/c1-3-7-6-9(16)13-11(12-7)8-4-5-10(17-2)15-14-8/h4-6H,3H2,1-2H3,(H,12,13,16)
InChIKeyBFGZLRBXORUFEG-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.80
Rot. Bonds3

About 4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one

4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one (PubChem CID 137012354) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
PubChem CID137012354
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(OC)nn2)n1
InChIInChI=1S/C11H12N4O2/c1-3-7-6-9(16)13-11(12-7)8-4-5-10(17-2)15-14-8/h4-6H,3H2,1-2H3,(H,12,13,16)
InChIKeyBFGZLRBXORUFEG-UHFFFAOYSA-N
XLogP0.80
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one (CID 137012354) is 4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(OC)nn2)n1.
What is the InChIKey of 4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is BFGZLRBXORUFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-3-7-6-9(16)13-11(12-7)8-4-5-10(17-2)15-14-8/h4-6H,3H2,1-2H3,(H,12,13,16).
What are the key properties of 4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 232.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137012354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).