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

C18H17FN6O — CID 19147812

IUPACN'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESCc1ccccc1Nc1ncnc(NNC(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C18H17FN6O/c1-11-4-2-3-5-14(11)23-16-15(20)17(22-10-21-16)24-25-18(26)12-6-8-13(19)9-7-12/h2-10H,20H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyKHJAOZUZRPRQQP-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.01
Rot. Bonds5

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

N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide (PubChem CID 19147812) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
PubChem CID19147812
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC NameN'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
SMILESCc1ccccc1Nc1ncnc(NNC(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C18H17FN6O/c1-11-4-2-3-5-14(11)23-16-15(20)17(22-10-21-16)24-25-18(26)12-6-8-13(19)9-7-12/h2-10H,20H2,1H3,(H,25,26)(H2,21,22,23,24)
InChIKeyKHJAOZUZRPRQQP-UHFFFAOYSA-N
XLogP3.01
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-chloro-2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22546471
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19145195
N'-[5-amino-6-(2,5-difluoroanilino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150925
N'-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22540325
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19149613
N'-(5-amino-6-chloropyrimidin-4-yl)-4-fluorobenzohydrazide
CID 23477568
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19150697
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19151022
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide (CID 19147812) is N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide is Cc1ccccc1Nc1ncnc(NNC(=O)c2ccc(F)cc2)c1N.
What is the InChIKey of N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
The InChIKey is KHJAOZUZRPRQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-11-4-2-3-5-14(11)23-16-15(20)17(22-10-21-16)24-25-18(26)12-6-8-13(19)9-7-12/h2-10H,20H2,1H3,(H,25,26)(H2,21,22,23,24).
What are the key properties of N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide?
N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide has a molecular weight of 352.37 g/mol, XLogP of 3.01, 5 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-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide is sourced from PubChem (CID 19147812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).