N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide

C11H12N6O — CID 10466983

IUPACN'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
SMILESNc1ncnc(NNC(=O)c2ccccc2)c1N
InChIInChI=1S/C11H12N6O/c12-8-9(13)14-6-15-10(8)16-17-11(18)7-4-2-1-3-5-7/h1-6H,12H2,(H,17,18)(H3,13,14,15,16)
InChIKeySKMYRDOIIKVQEI-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.40
Rot. Bonds3

About N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide

N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide (PubChem CID 10466983) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
PubChem CID10466983
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC NameN'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
SMILESNc1ncnc(NNC(=O)c2ccccc2)c1N
InChIInChI=1S/C11H12N6O/c12-8-9(13)14-6-15-10(8)16-17-11(18)7-4-2-1-3-5-7/h1-6H,12H2,(H,17,18)(H3,13,14,15,16)
InChIKeySKMYRDOIIKVQEI-UHFFFAOYSA-N
XLogP0.40
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide 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'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19137173
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19150628
N'-(5,6-diaminopyrimidin-4-yl)-2-phenylacetohydrazide
CID 19137179
N'-[5-amino-6-(1-phenylethylamino)pyrimidin-4-yl]benzohydrazide
CID 19145715
N'-[5-amino-6-(2-fluoroanilino)pyrimidin-4-yl]benzohydrazide
CID 19145181
N-[4-[[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19150657
N'-[5-amino-6-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide
CID 19144208
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751
N'-[5-amino-6-[2-(4-methylphenyl)sulfonylhydrazinyl]pyrimidin-4-yl]benzohydrazide
CID 19150636
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895

Frequently Asked Questions

What is the IUPAC name of N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide?
The IUPAC name of N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide (CID 10466983) is N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide.
What is the SMILES notation for N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide?
The canonical SMILES for N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide is Nc1ncnc(NNC(=O)c2ccccc2)c1N.
What is the InChIKey of N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide?
The InChIKey is SKMYRDOIIKVQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-8-9(13)14-6-15-10(8)16-17-11(18)7-4-2-1-3-5-7/h1-6H,12H2,(H,17,18)(H3,13,14,15,16).
What are the key properties of N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide?
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide has a molecular weight of 244.26 g/mol, XLogP of 0.40, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide is sourced from PubChem (CID 10466983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).