2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine

C11H14N4O3 — CID 12771935

IUPAC2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine
SMILESCOc1cc(-n2nc(C)cc2OC)nc(OC)n1
InChIInChI=1S/C11H14N4O3/c1-7-5-10(17-3)15(14-7)8-6-9(16-2)13-11(12-8)18-4/h5-6H,1-4H3
InChIKeyXFYKNHUCJPYXEA-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.00
Rot. Bonds4

About 2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine

2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine (PubChem CID 12771935) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine
PubChem CID12771935
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine
SMILESCOc1cc(-n2nc(C)cc2OC)nc(OC)n1
InChIInChI=1S/C11H14N4O3/c1-7-5-10(17-3)15(14-7)8-6-9(16-2)13-11(12-8)18-4/h5-6H,1-4H3
InChIKeyXFYKNHUCJPYXEA-UHFFFAOYSA-N
XLogP1.00
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine (CID 12771935) is 2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine is COc1cc(-n2nc(C)cc2OC)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine?
The InChIKey is XFYKNHUCJPYXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-5-10(17-3)15(14-7)8-6-9(16-2)13-11(12-8)18-4/h5-6H,1-4H3.
What are the key properties of 2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine?
2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine has a molecular weight of 250.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 12771935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).