2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide

C19H17N5O6 — CID 4152971

IUPAC2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)NNc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H17N5O6/c1-28-16-11-17(29-2)21-19(20-16)30-15-6-4-3-5-14(15)18(25)23-22-12-7-9-13(10-8-12)24(26)27/h3-11,22H,1-2H3,(H,23,25)
InChIKeyLLQMSEPXLUXGAD-UHFFFAOYSA-N
MW411.37 g/mol
LogP2.95
Rot. Bonds8

About 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide

2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide (PubChem CID 4152971) has the molecular formula C19H17N5O6 and a molecular weight of 411.37 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide.

Molecular Properties

Compound Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide
PubChem CID4152971
Molecular FormulaC19H17N5O6
Molecular Weight411.37 g/mol
Exact Mass411.12
IUPAC Name2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide
SMILESCOc1cc(OC)nc(Oc2ccccc2C(=O)NNc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C19H17N5O6/c1-28-16-11-17(29-2)21-19(20-16)30-15-6-4-3-5-14(15)18(25)23-22-12-7-9-13(10-8-12)24(26)27/h3-11,22H,1-2H3,(H,23,25)
InChIKeyLLQMSEPXLUXGAD-UHFFFAOYSA-N
XLogP2.95
TPSA137.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide?
The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide (CID 4152971) is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide.
What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide?
The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide is COc1cc(OC)nc(Oc2ccccc2C(=O)NNc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide?
The InChIKey is LLQMSEPXLUXGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O6/c1-28-16-11-17(29-2)21-19(20-16)30-15-6-4-3-5-14(15)18(25)23-22-12-7-9-13(10-8-12)24(26)27/h3-11,22H,1-2H3,(H,23,25).
What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide?
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide has a molecular weight of 411.37 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N'-(4-nitrophenyl)benzohydrazide is sourced from PubChem (CID 4152971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).