N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide

C26H26N6O — CID 22539870

IUPACN'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESCCN(c1ccccc1)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C26H26N6O/c1-2-32(21-16-10-5-11-17-21)25-23(27)24(28-18-29-25)30-31-26(33)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22H,2,27H2,1H3,(H,31,33)(H,28,29,30)
InChIKeyWOKQCRBIRNGXNR-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.49
Rot. Bonds8

About N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide

N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 22539870) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
PubChem CID22539870
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC NameN'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESCCN(c1ccccc1)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C26H26N6O/c1-2-32(21-16-10-5-11-17-21)25-23(27)24(28-18-29-25)30-31-26(33)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22H,2,27H2,1H3,(H,31,33)(H,28,29,30)
InChIKeyWOKQCRBIRNGXNR-UHFFFAOYSA-N
XLogP4.49
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.49
H-Bond Donors ≤ 53
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-(N-ethylanilino)pyrimidin-4-yl]-4-bromobenzohydrazide
CID 22539855
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152191
N'-[5-amino-6-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145603
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19152171
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152176
N'-[5-amino-6-(N-ethyl-3-methylanilino)pyrimidin-4-yl]benzohydrazide
CID 22539377
N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22547096
4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145201
N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19138271
N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19143355
N'-[5-amino-6-(2,3-dichloroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19146878

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 22539870) is N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is CCN(c1ccccc1)c1ncnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1N.
What is the InChIKey of N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The InChIKey is WOKQCRBIRNGXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-2-32(21-16-10-5-11-17-21)25-23(27)24(28-18-29-25)30-31-26(33)22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,22H,2,27H2,1H3,(H,31,33)(H,28,29,30).
What are the key properties of N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 438.54 g/mol, XLogP of 4.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 22539870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).