N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide

C15H19FN6O — CID 22540325

IUPACN'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESCC(C)(C)Nc1ncnc(NNC(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C15H19FN6O/c1-15(2,3)20-12-11(17)13(19-8-18-12)21-22-14(23)9-4-6-10(16)7-5-9/h4-8H,17H2,1-3H3,(H,22,23)(H2,18,19,20,21)
InChIKeyQBJRIYANEIUOCN-UHFFFAOYSA-N
MW318.36 g/mol
LogP2.17
Rot. Bonds4

About N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide

N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide (PubChem CID 22540325) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
PubChem CID22540325
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC NameN'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESCC(C)(C)Nc1ncnc(NNC(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C15H19FN6O/c1-15(2,3)20-12-11(17)13(19-8-18-12)21-22-14(23)9-4-6-10(16)7-5-9/h4-8H,17H2,1-3H3,(H,22,23)(H2,18,19,20,21)
InChIKeyQBJRIYANEIUOCN-UHFFFAOYSA-N
XLogP2.17
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 52.17
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-chloropyrimidin-4-yl)-4-fluorobenzohydrazide
CID 23477568
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19150448
N'-[5-amino-6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19150755
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134
N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19147812
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19150984
N'-[5-amino-6-(cyclohexylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19135857
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-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19149613
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19149215
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide (CID 22540325) is N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide is CC(C)(C)Nc1ncnc(NNC(=O)c2ccc(F)cc2)c1N.
What is the InChIKey of N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The InChIKey is QBJRIYANEIUOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c1-15(2,3)20-12-11(17)13(19-8-18-12)21-22-14(23)9-4-6-10(16)7-5-9/h4-8H,17H2,1-3H3,(H,22,23)(H2,18,19,20,21).
What are the key properties of N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide has a molecular weight of 318.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide is sourced from PubChem (CID 22540325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).