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

C17H16FN7O — CID 22545221

IUPACN'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide
SMILESCc1ccnc(Nc2ncnc(NNC(=O)c3ccccc3F)c2N)c1
InChIInChI=1S/C17H16FN7O/c1-10-6-7-20-13(8-10)23-15-14(19)16(22-9-21-15)24-25-17(26)11-4-2-3-5-12(11)18/h2-9H,19H2,1H3,(H,25,26)(H2,20,21,22,23,24)
InChIKeyWKYQYVPUPBZIJB-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.40
Rot. Bonds5

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

N'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide (PubChem CID 22545221) has the molecular formula C17H16FN7O and a molecular weight of 353.36 g/mol. Its IUPAC name is N'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide
PubChem CID22545221
Molecular FormulaC17H16FN7O
Molecular Weight353.36 g/mol
Exact Mass353.14
IUPAC NameN'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide
SMILESCc1ccnc(Nc2ncnc(NNC(=O)c3ccccc3F)c2N)c1
InChIInChI=1S/C17H16FN7O/c1-10-6-7-20-13(8-10)23-15-14(19)16(22-9-21-15)24-25-17(26)11-4-2-3-5-12(11)18/h2-9H,19H2,1H3,(H,25,26)(H2,20,21,22,23,24)
InChIKeyWKYQYVPUPBZIJB-UHFFFAOYSA-N
XLogP2.40
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-[6-[(4-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]benzohydrazide
CID 23483819
N'-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22540559
N'-[5-amino-6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 22547285
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19149900
ethyl 2-[[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]benzoate
CID 22545282
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150925
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
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-2-fluorobenzohydrazide
CID 19151250
4-[[5-amino-6-[2-(2-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]-N,N-diethylbenzenesulfonamide
CID 19145323
1-[4-[[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22545200

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide (CID 22545221) is N'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide is Cc1ccnc(Nc2ncnc(NNC(=O)c3ccccc3F)c2N)c1.
What is the InChIKey of N'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide?
The InChIKey is WKYQYVPUPBZIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7O/c1-10-6-7-20-13(8-10)23-15-14(19)16(22-9-21-15)24-25-17(26)11-4-2-3-5-12(11)18/h2-9H,19H2,1H3,(H,25,26)(H2,20,21,22,23,24).
What are the key properties of N'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide?
N'-[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide has a molecular weight of 353.36 g/mol, XLogP of 2.40, 5 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-methyl-2-pyridinyl)amino]pyrimidin-4-yl]-2-fluorobenzohydrazide is sourced from PubChem (CID 22545221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).