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

C19H19FN6O — CID 22544150

IUPACN'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESCCc1ccccc1Nc1ncnc(NNC(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C19H19FN6O/c1-2-12-5-3-4-6-15(12)24-17-16(21)18(23-11-22-17)25-26-19(27)13-7-9-14(20)10-8-13/h3-11H,2,21H2,1H3,(H,26,27)(H2,22,23,24,25)
InChIKeyYIWZJVMZDOFGDO-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.26
Rot. Bonds6

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

N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide (PubChem CID 22544150) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
PubChem CID22544150
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESCCc1ccccc1Nc1ncnc(NNC(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C19H19FN6O/c1-2-12-5-3-4-6-15(12)24-17-16(21)18(23-11-22-17)25-26-19(27)13-7-9-14(20)10-8-13/h3-11H,2,21H2,1H3,(H,26,27)(H2,22,23,24,25)
InChIKeyYIWZJVMZDOFGDO-UHFFFAOYSA-N
XLogP3.26
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.26
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-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19147812
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
N'-[5-amino-6-(2,4-dimethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19143341
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151022
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19145195
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19149215
N'-[5-amino-6-(4-chloro-2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22546471
N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22540325
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 22545639
N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide
CID 23477568
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22545649
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide (CID 22544150) is N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide is CCc1ccccc1Nc1ncnc(NNC(=O)c2ccc(F)cc2)c1N.
What is the InChIKey of N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The InChIKey is YIWZJVMZDOFGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-2-12-5-3-4-6-15(12)24-17-16(21)18(23-11-22-17)25-26-19(27)13-7-9-14(20)10-8-13/h3-11H,2,21H2,1H3,(H,26,27)(H2,22,23,24,25).
What are the key properties of N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide has a molecular weight of 366.40 g/mol, XLogP of 3.26, 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-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide is sourced from PubChem (CID 22544150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).