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

C25H20ClF3N6O — CID 19152181

IUPACN'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESNc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C25H20ClF3N6O/c26-19-12-11-17(13-18(19)25(27,28)29)33-22-21(30)23(32-14-31-22)34-35-24(36)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,30H2,(H,35,36)(H2,31,32,33,34)
InChIKeyHUAQFOHOWQQVKQ-UHFFFAOYSA-N
MW512.92 g/mol
LogP5.75
Rot. Bonds7

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

N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 19152181) has the molecular formula C25H20ClF3N6O and a molecular weight of 512.92 g/mol. Its IUPAC name is N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
PubChem CID19152181
Molecular FormulaC25H20ClF3N6O
Molecular Weight512.92 g/mol
Exact Mass512.13
IUPAC NameN'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESNc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C25H20ClF3N6O/c26-19-12-11-17(13-18(19)25(27,28)29)33-22-21(30)23(32-14-31-22)34-35-24(36)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,30H2,(H,35,36)(H2,31,32,33,34)
InChIKeyHUAQFOHOWQQVKQ-UHFFFAOYSA-N
XLogP5.75
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.92
LogP ≤ 55.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide with MolForge

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Related Compounds

N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19151977
4-N-(2-chlorophenyl)-6-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19147954
N'-[5-amino-6-(2,3-dichloroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19146878
6-chloro-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477599
N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19152376
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145201
methyl 2-[[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoate
CID 19146267
6-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146769
6-(4-benzhydrylpiperazin-1-yl)-4-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19139689
N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151677
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152176
N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19143355

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 19152181) is N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide is Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)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-diphenylacetohydrazide?
The InChIKey is HUAQFOHOWQQVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF3N6O/c26-19-12-11-17(13-18(19)25(27,28)29)33-22-21(30)23(32-14-31-22)34-35-24(36)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,30H2,(H,35,36)(H2,31,32,33,34).
What are the key properties of N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 512.92 g/mol, XLogP of 5.75, 7 rotatable bonds, 4 hydrogen bond donors, and 6 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-diphenylacetohydrazide is sourced from PubChem (CID 19152181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).