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

C14H19N7O — CID 19134894

IUPACN'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCCCCNc1ncnc(NNC(=O)c2cccnc2)c1N
InChIInChI=1S/C14H19N7O/c1-2-3-7-17-12-11(15)13(19-9-18-12)20-21-14(22)10-5-4-6-16-8-10/h4-6,8-9H,2-3,7,15H2,1H3,(H,21,22)(H2,17,18,19,20)
InChIKeyJAJIAQIOHJBKOB-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.42
Rot. Bonds7

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

N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide (PubChem CID 19134894) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
PubChem CID19134894
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
SMILESCCCCNc1ncnc(NNC(=O)c2cccnc2)c1N
InChIInChI=1S/C14H19N7O/c1-2-3-7-17-12-11(15)13(19-9-18-12)20-21-14(22)10-5-4-6-16-8-10/h4-6,8-9H,2-3,7,15H2,1H3,(H,21,22)(H2,17,18,19,20)
InChIKeyJAJIAQIOHJBKOB-UHFFFAOYSA-N
XLogP1.42
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(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-(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-nitro-6-(propylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23487391
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19134881
N'-[5-amino-6-[2-(2-phenoxyacetyl)hydrazinyl]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19151895
N'-[5-amino-6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19144647
N'-[5-amino-6-(3-methoxypropylamino)pyrimidin-4-yl]benzohydrazide
CID 19144208
N'-[5-amino-6-(4-iodoanilino)pyrimidin-4-yl]pyridine-3-carbohydrazide
CID 19148917

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The IUPAC name of N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide (CID 19134894) is N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The canonical SMILES for N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide is CCCCNc1ncnc(NNC(=O)c2cccnc2)c1N.
What is the InChIKey of N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
The InChIKey is JAJIAQIOHJBKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c1-2-3-7-17-12-11(15)13(19-9-18-12)20-21-14(22)10-5-4-6-16-8-10/h4-6,8-9H,2-3,7,15H2,1H3,(H,21,22)(H2,17,18,19,20).
What are the key properties of N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide?
N'-[5-amino-6-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide has a molecular weight of 301.35 g/mol, XLogP of 1.42, 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-(butylamino)pyrimidin-4-yl]pyridine-3-carbohydrazide is sourced from PubChem (CID 19134894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).