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

C19H19FN6O2 — CID 19152330

IUPACN'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESNc1c(NCc2ccc(F)cc2)ncnc1NNC(=O)COc1ccccc1
InChIInChI=1S/C19H19FN6O2/c20-14-8-6-13(7-9-14)10-22-18-17(21)19(24-12-23-18)26-25-16(27)11-28-15-4-2-1-3-5-15/h1-9,12H,10-11,21H2,(H,25,27)(H2,22,23,24,26)
InChIKeyCRJURXQQEJLPJH-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.33
Rot. Bonds8

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

N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide (PubChem CID 19152330) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
PubChem CID19152330
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC NameN'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
SMILESNc1c(NCc2ccc(F)cc2)ncnc1NNC(=O)COc1ccccc1
InChIInChI=1S/C19H19FN6O2/c20-14-8-6-13(7-9-14)10-22-18-17(21)19(24-12-23-18)26-25-16(27)11-28-15-4-2-1-3-5-15/h1-9,12H,10-11,21H2,(H,25,27)(H2,22,23,24,26)
InChIKeyCRJURXQQEJLPJH-UHFFFAOYSA-N
XLogP2.33
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151250
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-methylbenzohydrazide
CID 19150924
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150755
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22539636
N'-[5-amino-6-(benzylamino)pyrimidin-4-yl]-2-(2,4-dichlorophenoxy)acetohydrazide
CID 19136254
N'-[5-amino-6-(cycloheptylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152339
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541037
N'-[5-amino-6-(4-bromo-2-fluoroanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19152310
N'-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22540107
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895
N'-[5-amino-6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22543071

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The IUPAC name of N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide (CID 19152330) is N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The canonical SMILES for N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide is Nc1c(NCc2ccc(F)cc2)ncnc1NNC(=O)COc1ccccc1.
What is the InChIKey of N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide?
The InChIKey is CRJURXQQEJLPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-14-8-6-13(7-9-14)10-22-18-17(21)19(24-12-23-18)26-25-16(27)11-28-15-4-2-1-3-5-15/h1-9,12H,10-11,21H2,(H,25,27)(H2,22,23,24,26).
What are the key properties of N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide?
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide has a molecular weight of 382.40 g/mol, XLogP of 2.33, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-phenoxyacetohydrazide is sourced from PubChem (CID 19152330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).