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

C11H13N7O — CID 19135090

IUPACN'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCNc1ncnc(NNC(=O)c2cccnc2)c1N
InChIInChI=1S/C11H13N7O/c1-13-9-8(12)10(16-6-15-9)17-18-11(19)7-3-2-4-14-5-7/h2-6H,12H2,1H3,(H,18,19)(H2,13,15,16,17)
InChIKeyNZSBNPMCEDMPMH-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.25
Rot. Bonds4

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

N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 19135090) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID19135090
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCNc1ncnc(NNC(=O)c2cccnc2)c1N
InChIInChI=1S/C11H13N7O/c1-13-9-8(12)10(16-6-15-9)17-18-11(19)7-3-2-4-14-5-7/h2-6H,12H2,1H3,(H,18,19)(H2,13,15,16,17)
InChIKeyNZSBNPMCEDMPMH-UHFFFAOYSA-N
XLogP0.25
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.25
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-[2-(pyridine-3-carbonyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151889
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-(propan-2-ylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19135674
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-[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
N'-[5-amino-6-(4-phenoxyanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151939

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 19135090) is N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide is CNc1ncnc(NNC(=O)c2cccnc2)c1N.
What is the InChIKey of N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is NZSBNPMCEDMPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c1-13-9-8(12)10(16-6-15-9)17-18-11(19)7-3-2-4-14-5-7/h2-6H,12H2,1H3,(H,18,19)(H2,13,15,16,17).
What are the key properties of N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 259.27 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-(methylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 19135090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).