1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone

C11H12N4O2 — CID 102950058

IUPAC1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCOc1cc(C(=O)Cc2cnn(C)c2)ncn1
InChIInChI=1S/C11H12N4O2/c1-15-6-8(5-14-15)3-10(16)9-4-11(17-2)13-7-12-9/h4-7H,3H2,1-2H3
InChIKeyFADFJYSSUFVQGV-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.64
Rot. Bonds4

About 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone

1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 102950058) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID102950058
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCOc1cc(C(=O)Cc2cnn(C)c2)ncn1
InChIInChI=1S/C11H12N4O2/c1-15-6-8(5-14-15)3-10(16)9-4-11(17-2)13-7-12-9/h4-7H,3H2,1-2H3
InChIKeyFADFJYSSUFVQGV-UHFFFAOYSA-N
XLogP0.64
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone (CID 102950058) is 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone is COc1cc(C(=O)Cc2cnn(C)c2)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is FADFJYSSUFVQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15-6-8(5-14-15)3-10(16)9-4-11(17-2)13-7-12-9/h4-7H,3H2,1-2H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone?
1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 232.24 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 102950058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).