2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide

C16H16Cl2N6O5 — CID 23489626

IUPAC2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide
SMILESO=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C16H16Cl2N6O5/c17-10-1-2-12(11(18)7-10)29-8-13(25)21-22-15-14(24(26)27)16(20-9-19-15)23-3-5-28-6-4-23/h1-2,7,9H,3-6,8H2,(H,21,25)(H,19,20,22)
InChIKeySOTUZXQMOJBMHX-UHFFFAOYSA-N
MW443.25 g/mol
LogP2.05
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide

2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide (PubChem CID 23489626) has the molecular formula C16H16Cl2N6O5 and a molecular weight of 443.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide
PubChem CID23489626
Molecular FormulaC16H16Cl2N6O5
Molecular Weight443.25 g/mol
Exact Mass442.06
IUPAC Name2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide
SMILESO=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C16H16Cl2N6O5/c17-10-1-2-12(11(18)7-10)29-8-13(25)21-22-15-14(24(26)27)16(20-9-19-15)23-3-5-28-6-4-23/h1-2,7,9H,3-6,8H2,(H,21,25)(H,19,20,22)
InChIKeySOTUZXQMOJBMHX-UHFFFAOYSA-N
XLogP2.05
TPSA131.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.25
LogP ≤ 52.05
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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Related Compounds

N'-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 23491273
N'-[6-(4-chloroanilino)-5-nitropyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 22532988
2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide
CID 22537163
2-(2,4-dichlorophenoxy)-N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]acetohydrazide
CID 23479509
N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19137364
N'-[6-(3-chloro-4-methylanilino)-5-nitropyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 23485345
N'-[6-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22536551
2-(2,4-dichlorophenoxy)-N'-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-4-yl]acetohydrazide
CID 23479032
2-(2,4-dichlorophenoxy)-N'-[6-(2,4-difluoroanilino)-5-nitropyrimidin-4-yl]acetohydrazide
CID 22537193
N-(4-chloro-2-methylphenyl)-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23485006
N'-[6-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536623
N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)benzohydrazide
CID 23489598

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide (CID 23489626) is 2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide is O=C(COc1ccc(Cl)cc1Cl)NNc1ncnc(N2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide?
The InChIKey is SOTUZXQMOJBMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N6O5/c17-10-1-2-12(11(18)7-10)29-8-13(25)21-22-15-14(24(26)27)16(20-9-19-15)23-3-5-28-6-4-23/h1-2,7,9H,3-6,8H2,(H,21,25)(H,19,20,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide?
2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide has a molecular weight of 443.25 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide is sourced from PubChem (CID 23489626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).