N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide

C15H14FN7O2 — CID 22540559

IUPACN'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide
SMILESCc1cc(Nc2ncnc(NNC(=O)c3ccccc3F)c2N)no1
InChIInChI=1S/C15H14FN7O2/c1-8-6-11(23-25-8)20-13-12(17)14(19-7-18-13)21-22-15(24)9-4-2-3-5-10(9)16/h2-7H,17H2,1H3,(H,22,24)(H2,18,19,20,21,23)
InChIKeyXMMJNHRZTZLJGC-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.99
Rot. Bonds5

About N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide

N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide (PubChem CID 22540559) has the molecular formula C15H14FN7O2 and a molecular weight of 343.32 g/mol. Its IUPAC name is N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide
PubChem CID22540559
Molecular FormulaC15H14FN7O2
Molecular Weight343.32 g/mol
Exact Mass343.12
IUPAC NameN'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide
SMILESCc1cc(Nc2ncnc(NNC(=O)c3ccccc3F)c2N)no1
InChIInChI=1S/C15H14FN7O2/c1-8-6-11(23-25-8)20-13-12(17)14(19-7-18-13)21-22-15(24)9-4-2-3-5-10(9)16/h2-7H,17H2,1H3,(H,22,24)(H2,18,19,20,21,23)
InChIKeyXMMJNHRZTZLJGC-UHFFFAOYSA-N
XLogP1.99
TPSA130.99 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22545221
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22547285
2-bromo-N'-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23479015
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150925
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19149900
N'-[5-amino-6-(benzhydrylamino)pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19150179
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19145189
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151220
6-N-(4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540535
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151250
2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23483819
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-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide (CID 22540559) is N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide is Cc1cc(Nc2ncnc(NNC(=O)c3ccccc3F)c2N)no1.
What is the InChIKey of N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide?
The InChIKey is XMMJNHRZTZLJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7O2/c1-8-6-11(23-25-8)20-13-12(17)14(19-7-18-13)21-22-15(24)9-4-2-3-5-10(9)16/h2-7H,17H2,1H3,(H,22,24)(H2,18,19,20,21,23).
What are the key properties of N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide?
N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide has a molecular weight of 343.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide is sourced from PubChem (CID 22540559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).