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

C19H19FN6O2 — CID 19149215

IUPACN'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESCCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(F)cc3)c2N)cc1
InChIInChI=1S/C19H19FN6O2/c1-2-28-15-9-7-14(8-10-15)24-17-16(21)18(23-11-22-17)25-26-19(27)12-3-5-13(20)6-4-12/h3-11H,2,21H2,1H3,(H,26,27)(H2,22,23,24,25)
InChIKeyCEJLKBMMLJCLBM-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.10
Rot. Bonds7

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

N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide (PubChem CID 19149215) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
PubChem CID19149215
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC NameN'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESCCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(F)cc3)c2N)cc1
InChIInChI=1S/C19H19FN6O2/c1-2-28-15-9-7-14(8-10-15)24-17-16(21)18(23-11-22-17)25-26-19(27)12-3-5-13(20)6-4-12/h3-11H,2,21H2,1H3,(H,26,27)(H2,22,23,24,25)
InChIKeyCEJLKBMMLJCLBM-UHFFFAOYSA-N
XLogP3.10
TPSA114.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.10
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

N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19149224
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19148584
N'-[5-amino-6-(2-ethylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22544150
N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22543504
N'-[6-(4-ethoxyanilino)-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide
CID 22533505
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19150448
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744
N'-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22542161
N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19147812
N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22540325

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide (CID 19149215) is N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide is CCOc1ccc(Nc2ncnc(NNC(=O)c3ccc(F)cc3)c2N)cc1.
What is the InChIKey of N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The InChIKey is CEJLKBMMLJCLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-2-28-15-9-7-14(8-10-15)24-17-16(21)18(23-11-22-17)25-26-19(27)12-3-5-13(20)6-4-12/h3-11H,2,21H2,1H3,(H,26,27)(H2,22,23,24,25).
What are the key properties of N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide has a molecular weight of 382.40 g/mol, XLogP of 3.10, 7 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-ethoxyanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide is sourced from PubChem (CID 19149215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).