N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide

C14H16Cl2N6O2 — CID 19135292

IUPACN'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
SMILESCCNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C14H16Cl2N6O2/c1-2-18-13-12(17)14(20-7-19-13)22-21-11(23)6-24-10-4-3-8(15)5-9(10)16/h3-5,7H,2,6,17H2,1H3,(H,21,23)(H2,18,19,20,22)
InChIKeyZMYGKJGYBNCLLL-UHFFFAOYSA-N
MW371.23 g/mol
LogP2.32
Rot. Bonds7

About N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide

N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide (PubChem CID 19135292) has the molecular formula C14H16Cl2N6O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
PubChem CID19135292
Molecular FormulaC14H16Cl2N6O2
Molecular Weight371.23 g/mol
Exact Mass370.07
IUPAC NameN'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
SMILESCCNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C14H16Cl2N6O2/c1-2-18-13-12(17)14(20-7-19-13)22-21-11(23)6-24-10-4-3-8(15)5-9(10)16/h3-5,7H,2,6,17H2,1H3,(H,21,23)(H2,18,19,20,22)
InChIKeyZMYGKJGYBNCLLL-UHFFFAOYSA-N
XLogP2.32
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19134901
N'-[5-amino-6-(benzylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19136254
N'-[5-amino-6-(diethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19136818
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19146758
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19149232
N'-[5-amino-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 22541725
N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19137364
N'-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 22542627
N'-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19147244
N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
CID 135575699
N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
CID 22543732
N'-[5-amino-6-[bis(2-cyanoethyl)amino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19141504

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide?
The IUPAC name of N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide (CID 19135292) is N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide?
The canonical SMILES for N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide is CCNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide?
The InChIKey is ZMYGKJGYBNCLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N6O2/c1-2-18-13-12(17)14(20-7-19-13)22-21-11(23)6-24-10-4-3-8(15)5-9(10)16/h3-5,7H,2,6,17H2,1H3,(H,21,23)(H2,18,19,20,22).
What are the key properties of N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide?
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide has a molecular weight of 371.23 g/mol, XLogP of 2.32, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide is sourced from PubChem (CID 19135292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).