N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide

C12H11Cl2N5O3 — CID 135575699

IUPACN'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
SMILESNc1c(NNC(=O)COc2ccc(Cl)cc2Cl)nc[nH]c1=O
InChIInChI=1S/C12H11Cl2N5O3/c13-6-1-2-8(7(14)3-6)22-4-9(20)18-19-11-10(15)12(21)17-5-16-11/h1-3,5H,4,15H2,(H,18,20)(H2,16,17,19,21)
InChIKeyJKQAWCYZQLDZET-UHFFFAOYSA-N
MW344.16 g/mol
LogP1.18
Rot. Bonds5

About N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide

N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide (PubChem CID 135575699) has the molecular formula C12H11Cl2N5O3 and a molecular weight of 344.16 g/mol. Its IUPAC name is N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
PubChem CID135575699
Molecular FormulaC12H11Cl2N5O3
Molecular Weight344.16 g/mol
Exact Mass343.02
IUPAC NameN'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
SMILESNc1c(NNC(=O)COc2ccc(Cl)cc2Cl)nc[nH]c1=O
InChIInChI=1S/C12H11Cl2N5O3/c13-6-1-2-8(7(14)3-6)22-4-9(20)18-19-11-10(15)12(21)17-5-16-11/h1-3,5H,4,15H2,(H,18,20)(H2,16,17,19,21)
InChIKeyJKQAWCYZQLDZET-UHFFFAOYSA-N
XLogP1.18
TPSA122.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 51.18
H-Bond Donors ≤ 54
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'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19146758
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19135292
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-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19134901
N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19137364
N'-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19147244
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19149232
N'-[5-amino-6-[bis(2-cyanoethyl)amino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19141504
N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19152376
N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide
CID 22543732
N'-[5-amino-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19146509

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide?
The IUPAC name of N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide (CID 135575699) is N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide.
What is the SMILES notation for N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide?
The canonical SMILES for N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide is Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)nc[nH]c1=O.
What is the InChIKey of N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide?
The InChIKey is JKQAWCYZQLDZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N5O3/c13-6-1-2-8(7(14)3-6)22-4-9(20)18-19-11-10(15)12(21)17-5-16-11/h1-3,5H,4,15H2,(H,18,20)(H2,16,17,19,21).
What are the key properties of N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide?
N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide has a molecular weight of 344.16 g/mol, XLogP of 1.18, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-oxo-1H-pyrimidin-4-yl)-2-(2,4-dichlorophenoxy)acetohydrazide is sourced from PubChem (CID 135575699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).