4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane

C11H20N4O2 — CID 5246701

IUPAC4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane
SMILESCOc1cc(C)nn1C1NC(C)CC(OC)N1
InChIInChI=1S/C11H20N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h6-7,9,11-13H,5H2,1-4H3
InChIKeyBGSYZYGFHYSMCP-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.60
Rot. Bonds3

About 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane

4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane (PubChem CID 5246701) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane.

Molecular Properties

Compound Name4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane
PubChem CID5246701
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane
SMILESCOc1cc(C)nn1C1NC(C)CC(OC)N1
InChIInChI=1S/C11H20N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h6-7,9,11-13H,5H2,1-4H3
InChIKeyBGSYZYGFHYSMCP-UHFFFAOYSA-N
XLogP0.60
TPSA60.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane?
The IUPAC name of 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane (CID 5246701) is 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane.
What is the SMILES notation for 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane?
The canonical SMILES for 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane is COc1cc(C)nn1C1NC(C)CC(OC)N1.
What is the InChIKey of 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane?
The InChIKey is BGSYZYGFHYSMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h6-7,9,11-13H,5H2,1-4H3.
What are the key properties of 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane?
4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane has a molecular weight of 240.31 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-1,3-diazinane is sourced from PubChem (CID 5246701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).