N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide

C19H14Cl3F3N6O2 — CID 19152376

IUPACN'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
SMILESNc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H14Cl3F3N6O2/c20-9-1-4-14(13(22)5-9)33-7-15(32)30-31-18-16(26)17(27-8-28-18)29-10-2-3-12(21)11(6-10)19(23,24)25/h1-6,8H,7,26H2,(H,30,32)(H2,27,28,29,31)
InChIKeyGMUUQUQEYUSMRT-UHFFFAOYSA-N
MW521.71 g/mol
LogP5.30
Rot. Bonds7

About N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide

N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide (PubChem CID 19152376) has the molecular formula C19H14Cl3F3N6O2 and a molecular weight of 521.71 g/mol. Its IUPAC name is N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
PubChem CID19152376
Molecular FormulaC19H14Cl3F3N6O2
Molecular Weight521.71 g/mol
Exact Mass520.02
IUPAC NameN'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
SMILESNc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C19H14Cl3F3N6O2/c20-9-1-4-14(13(22)5-9)33-7-15(32)30-31-18-16(26)17(27-8-28-18)29-10-2-3-12(21)11(6-10)19(23,24)25/h1-6,8H,7,26H2,(H,30,32)(H2,27,28,29,31)
InChIKeyGMUUQUQEYUSMRT-UHFFFAOYSA-N
XLogP5.30
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.71
LogP ≤ 55.30
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-(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-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19146509
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146769
N'-[5-amino-6-(ethylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19135292
N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19151977
N'-[5-amino-6-[(5-bromo-2-pyridinyl)amino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19147244
N'-[5-amino-6-(benzylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19136254
N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152181
6-N-[(4-chlorophenyl)methyl]-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19150564
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19134901
N'-[6-(4-chloroanilino)-5-nitropyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 22532988

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide?
The IUPAC name of N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide (CID 19152376) is N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide.
What is the SMILES notation for N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide?
The canonical SMILES for N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide is Nc1c(NNC(=O)COc2ccc(Cl)cc2Cl)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide?
The InChIKey is GMUUQUQEYUSMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl3F3N6O2/c20-9-1-4-14(13(22)5-9)33-7-15(32)30-31-18-16(26)17(27-8-28-18)29-10-2-3-12(21)11(6-10)19(23,24)25/h1-6,8H,7,26H2,(H,30,32)(H2,27,28,29,31).
What are the key properties of N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide?
N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide has a molecular weight of 521.71 g/mol, XLogP of 5.30, 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-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide is sourced from PubChem (CID 19152376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).