N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide

C20H20N4O3 — CID 26122198

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide
SMILESCc1cc(C)nc(NNC(=O)COc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H20N4O3/c1-14-12-15(2)22-20(21-14)24-23-19(25)13-26-16-8-10-18(11-9-16)27-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyZKKQSPBNAKOJDW-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.41
Rot. Bonds7

About N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide (PubChem CID 26122198) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide
PubChem CID26122198
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide
SMILESCc1cc(C)nc(NNC(=O)COc2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C20H20N4O3/c1-14-12-15(2)22-20(21-14)24-23-19(25)13-26-16-8-10-18(11-9-16)27-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyZKKQSPBNAKOJDW-UHFFFAOYSA-N
XLogP3.41
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4,6-dimethylpyrimidin-2-yl)-4-phenoxybutanehydrazide
CID 30131742
2-(4-phenoxyphenoxy)-N'-phenylacetohydrazide
CID 78835711
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 1116398
2-(4-phenoxyphenoxy)acetohydrazide
CID 873173
2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 802579
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
2-[[2-(4-phenoxyphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26080587
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 1117486
N-methylsulfonyl-2-(4-phenoxyphenoxy)acetamide
CID 146154493
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide (CID 26122198) is N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide is Cc1cc(C)nc(NNC(=O)COc2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide?
The InChIKey is ZKKQSPBNAKOJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-12-15(2)22-20(21-14)24-23-19(25)13-26-16-8-10-18(11-9-16)27-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide has a molecular weight of 364.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-2-(4-phenoxyphenoxy)acetohydrazide is sourced from PubChem (CID 26122198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).