N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide

C24H21FN6O — CID 19150179

IUPACN'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2F)ncnc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21FN6O/c25-19-14-8-7-13-18(19)24(32)31-30-23-20(26)22(27-15-28-23)29-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H,26H2,(H,31,32)(H2,27,28,29,30)
InChIKeyHCLBYHWHXMEFED-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.16
Rot. Bonds7

About N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide

N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide (PubChem CID 19150179) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide
PubChem CID19150179
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC NameN'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccccc2F)ncnc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21FN6O/c25-19-14-8-7-13-18(19)24(32)31-30-23-20(26)22(27-15-28-23)29-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H,26H2,(H,31,32)(H2,27,28,29,30)
InChIKeyHCLBYHWHXMEFED-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
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-(benzhydrylamino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19150190
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151220
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151250
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19145189
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19145725
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19149900
N'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22545221
N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22540559
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 19145715
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22547285
N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151677
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide (CID 19150179) is N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide is Nc1c(NNC(=O)c2ccccc2F)ncnc1NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide?
The InChIKey is HCLBYHWHXMEFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c25-19-14-8-7-13-18(19)24(32)31-30-23-20(26)22(27-15-28-23)29-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H,26H2,(H,31,32)(H2,27,28,29,30).
What are the key properties of N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide?
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide has a molecular weight of 428.47 g/mol, XLogP of 4.16, 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-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide is sourced from PubChem (CID 19150179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).