N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide

C11H9ClFN5O — CID 23477568

IUPACN'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide
SMILESNc1c(Cl)ncnc1NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H9ClFN5O/c12-9-8(14)10(16-5-15-9)17-18-11(19)6-1-3-7(13)4-2-6/h1-5H,14H2,(H,18,19)(H,15,16,17)
InChIKeyYFJIYSSZWLVWFO-UHFFFAOYSA-N
MW281.68 g/mol
LogP1.61
Rot. Bonds3

About N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide

N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide (PubChem CID 23477568) has the molecular formula C11H9ClFN5O and a molecular weight of 281.68 g/mol. Its IUPAC name is N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide
PubChem CID23477568
Molecular FormulaC11H9ClFN5O
Molecular Weight281.68 g/mol
Exact Mass281.05
IUPAC NameN'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide
SMILESNc1c(Cl)ncnc1NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H9ClFN5O/c12-9-8(14)10(16-5-15-9)17-18-11(19)6-1-3-7(13)4-2-6/h1-5H,14H2,(H,18,19)(H,15,16,17)
InChIKeyYFJIYSSZWLVWFO-UHFFFAOYSA-N
XLogP1.61
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.68
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22540325
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134
N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19135857
N'-[5-amino-6-(4-chloro-2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22546471
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19150448
N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19147812
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19149613
N'-[5-amino-6-[2-(4-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150707
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150755
N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22544150
N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19143341
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19149215

Frequently Asked Questions

What is the IUPAC name of N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide?
The IUPAC name of N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide (CID 23477568) is N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide.
What is the SMILES notation for N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide?
The canonical SMILES for N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide is Nc1c(Cl)ncnc1NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide?
The InChIKey is YFJIYSSZWLVWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN5O/c12-9-8(14)10(16-5-15-9)17-18-11(19)6-1-3-7(13)4-2-6/h1-5H,14H2,(H,18,19)(H,15,16,17).
What are the key properties of N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide?
N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide has a molecular weight of 281.68 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide is sourced from PubChem (CID 23477568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).