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

C14H13Cl2N5O5 — CID 22537163

IUPAC2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide
SMILESCCOc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C14H13Cl2N5O5/c1-2-25-14-12(21(23)24)13(17-7-18-14)20-19-11(22)6-26-10-4-3-8(15)5-9(10)16/h3-5,7H,2,6H2,1H3,(H,19,22)(H,17,18,20)
InChIKeyLKPCUDIUPQVRTH-UHFFFAOYSA-N
MW402.19 g/mol
LogP2.61
Rot. Bonds8

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

2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide (PubChem CID 22537163) has the molecular formula C14H13Cl2N5O5 and a molecular weight of 402.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide
PubChem CID22537163
Molecular FormulaC14H13Cl2N5O5
Molecular Weight402.19 g/mol
Exact Mass401.03
IUPAC Name2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide
SMILESCCOc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C14H13Cl2N5O5/c1-2-25-14-12(21(23)24)13(17-7-18-14)20-19-11(22)6-26-10-4-3-8(15)5-9(10)16/h3-5,7H,2,6H2,1H3,(H,19,22)(H,17,18,20)
InChIKeyLKPCUDIUPQVRTH-UHFFFAOYSA-N
XLogP2.61
TPSA128.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.19
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-chloroanilino)-5-nitropyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 22532988
2-(2,4-dichlorophenoxy)-N'-[6-(3,5-dimethylanilino)-5-nitropyrimidin-4-yl]acetohydrazide
CID 23479509
2-(2,4-dichlorophenoxy)-N'-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-4-yl]acetohydrazide
CID 23479032
N'-[6-(5-bromoquinolin-8-yl)oxy-5-nitropyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 22537169
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-(2,4-difluoroanilino)-5-nitropyrimidin-4-yl]acetohydrazide
CID 22537193
N'-[6-[2-[2-(2,4-dichlorophenoxy)acetyl]hydrazinyl]-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 22536623
2-(2,4-dichlorophenoxy)-N'-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)acetohydrazide
CID 23489626
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19149232
6-(2,4-dichlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 112725350
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19135292

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide (CID 22537163) is 2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide is CCOc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide?
The InChIKey is LKPCUDIUPQVRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O5/c1-2-25-14-12(21(23)24)13(17-7-18-14)20-19-11(22)6-26-10-4-3-8(15)5-9(10)16/h3-5,7H,2,6H2,1H3,(H,19,22)(H,17,18,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide?
2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide has a molecular weight of 402.19 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N'-(6-ethoxy-5-nitropyrimidin-4-yl)acetohydrazide is sourced from PubChem (CID 22537163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).