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

C16H20Cl2N6O2 — CID 19134901

IUPACN'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
SMILESCCCCNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C16H20Cl2N6O2/c1-2-3-6-20-15-14(19)16(22-9-21-15)24-23-13(25)8-26-12-5-4-10(17)7-11(12)18/h4-5,7,9H,2-3,6,8,19H2,1H3,(H,23,25)(H2,20,21,22,24)
InChIKeyRZBMRGGSRUFWPG-UHFFFAOYSA-N
MW399.28 g/mol
LogP3.10
Rot. Bonds9

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

N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide (PubChem CID 19134901) has the molecular formula C16H20Cl2N6O2 and a molecular weight of 399.28 g/mol. Its IUPAC name is N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
PubChem CID19134901
Molecular FormulaC16H20Cl2N6O2
Molecular Weight399.28 g/mol
Exact Mass398.10
IUPAC NameN'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
SMILESCCCCNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C16H20Cl2N6O2/c1-2-3-6-20-15-14(19)16(22-9-21-15)24-23-13(25)8-26-12-5-4-10(17)7-11(12)18/h4-5,7,9H,2-3,6,8,19H2,1H3,(H,23,25)(H2,20,21,22,24)
InChIKeyRZBMRGGSRUFWPG-UHFFFAOYSA-N
XLogP3.10
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19135292
N'-[5-amino-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 22541725
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-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-[bis(2-cyanoethyl)amino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19141504
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135477
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

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide?
The IUPAC name of N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide (CID 19134901) is N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide?
The canonical SMILES for N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide is CCCCNc1ncnc(NNC(=O)COc2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide?
The InChIKey is RZBMRGGSRUFWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N6O2/c1-2-3-6-20-15-14(19)16(22-9-21-15)24-23-13(25)8-26-12-5-4-10(17)7-11(12)18/h4-5,7,9H,2-3,6,8,19H2,1H3,(H,23,25)(H2,20,21,22,24).
What are the key properties of N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide?
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide has a molecular weight of 399.28 g/mol, XLogP of 3.10, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide is sourced from PubChem (CID 19134901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).