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

C18H16F2N6O — CID 19151250

IUPACN'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide
SMILESNc1c(NCc2ccc(F)cc2)ncnc1NNC(=O)c1ccccc1F
InChIInChI=1S/C18H16F2N6O/c19-12-7-5-11(6-8-12)9-22-16-15(21)17(24-10-23-16)25-26-18(27)13-3-1-2-4-14(13)20/h1-8,10H,9,21H2,(H,26,27)(H2,22,23,24,25)
InChIKeyPYZABOUXHFVEEG-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.71
Rot. Bonds6

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

N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide (PubChem CID 19151250) has the molecular formula C18H16F2N6O and a molecular weight of 370.36 g/mol. Its IUPAC name is N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide
PubChem CID19151250
Molecular FormulaC18H16F2N6O
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC NameN'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide
SMILESNc1c(NCc2ccc(F)cc2)ncnc1NNC(=O)c1ccccc1F
InChIInChI=1S/C18H16F2N6O/c19-12-7-5-11(6-8-12)9-22-16-15(21)17(24-10-23-16)25-26-18(27)13-3-1-2-4-14(13)20/h1-8,10H,9,21H2,(H,26,27)(H2,22,23,24,25)
InChIKeyPYZABOUXHFVEEG-UHFFFAOYSA-N
XLogP2.71
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.71
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-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150924
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150755
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152330
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151220
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19150179
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
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19145189
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22547285
4-[[5-amino-6-[2-(2-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 19145323

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide (CID 19151250) is N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide is Nc1c(NCc2ccc(F)cc2)ncnc1NNC(=O)c1ccccc1F.
What is the InChIKey of N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide?
The InChIKey is PYZABOUXHFVEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O/c19-12-7-5-11(6-8-12)9-22-16-15(21)17(24-10-23-16)25-26-18(27)13-3-1-2-4-14(13)20/h1-8,10H,9,21H2,(H,26,27)(H2,22,23,24,25).
What are the key properties of N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide?
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide has a molecular weight of 370.36 g/mol, XLogP of 2.71, 6 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-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide is sourced from PubChem (CID 19151250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).