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

C24H21FN6O — CID 19145201

IUPACN'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESNc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccccc1F
InChIInChI=1S/C24H21FN6O/c25-18-13-7-8-14-19(18)29-22-21(26)23(28-15-27-22)30-31-24(32)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,20H,26H2,(H,31,32)(H2,27,28,29,30)
InChIKeyLUKJWANROVLYCF-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.22
Rot. Bonds7

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

N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (PubChem CID 19145201) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
PubChem CID19145201
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC NameN'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
SMILESNc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccccc1F
InChIInChI=1S/C24H21FN6O/c25-18-13-7-8-14-19(18)29-22-21(26)23(28-15-27-22)30-31-24(32)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,20H,26H2,(H,31,32)(H2,27,28,29,30)
InChIKeyLUKJWANROVLYCF-UHFFFAOYSA-N
XLogP4.22
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.22
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-(2,3-dichloroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19146878
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19143355
N'-[5-amino-6-(2,5-dimethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22547096
N'-[5-amino-6-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145603
N'-[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22541949
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152176
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19145189
N'-(5-amino-6-ethoxypyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19152171
N'-[5-amino-6-[4-chloro-3-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152181
N'-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-2,2-diphenylacetohydrazide
CID 19137361
N'-[5-amino-6-(N-ethylanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22539870

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The IUPAC name of N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide (CID 19145201) is N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is Nc1c(NNC(=O)C(c2ccccc2)c2ccccc2)ncnc1Nc1ccccc1F.
What is the InChIKey of N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
The InChIKey is LUKJWANROVLYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c25-18-13-7-8-14-19(18)29-22-21(26)23(28-15-27-22)30-31-24(32)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,20H,26H2,(H,31,32)(H2,27,28,29,30).
What are the key properties of N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide?
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide has a molecular weight of 428.47 g/mol, XLogP of 4.22, 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-(2-fluoroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide is sourced from PubChem (CID 19145201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).