N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide

C13H17N7O — CID 19135674

IUPACN'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCC(C)Nc1ncnc(NNC(=O)c2cccnc2)c1N
InChIInChI=1S/C13H17N7O/c1-8(2)18-11-10(14)12(17-7-16-11)19-20-13(21)9-4-3-5-15-6-9/h3-8H,14H2,1-2H3,(H,20,21)(H2,16,17,18,19)
InChIKeyNXSGJBQXUXIJMU-UHFFFAOYSA-N
MW287.33 g/mol
LogP1.03
Rot. Bonds5

About N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide

N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 19135674) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID19135674
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC NameN'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCC(C)Nc1ncnc(NNC(=O)c2cccnc2)c1N
InChIInChI=1S/C13H17N7O/c1-8(2)18-11-10(14)12(17-7-16-11)19-20-13(21)9-4-3-5-15-6-9/h3-8H,14H2,1-2H3,(H,20,21)(H2,16,17,18,19)
InChIKeyNXSGJBQXUXIJMU-UHFFFAOYSA-N
XLogP1.03
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide 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-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135090
N'-[5-amino-6-(2-benzoylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19150633
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151902
N'-[5-amino-6-[2-(4-fluorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151134
N'-[5-amino-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19144647
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19134894
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19135675
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19148917
N'-[5-amino-6-(4-methylphenyl)sulfanylpyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19149909
N'-[5-amino-6-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19149623

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 19135674) is N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide is CC(C)Nc1ncnc(NNC(=O)c2cccnc2)c1N.
What is the InChIKey of N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is NXSGJBQXUXIJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c1-8(2)18-11-10(14)12(17-7-16-11)19-20-13(21)9-4-3-5-15-6-9/h3-8H,14H2,1-2H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 287.33 g/mol, XLogP of 1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 19135674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).