N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide

C10H11N7O — CID 19137173

IUPACN'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide
SMILESNc1ncnc(NNC(=O)c2ccncc2)c1N
InChIInChI=1S/C10H11N7O/c11-7-8(12)14-5-15-9(7)16-17-10(18)6-1-3-13-4-2-6/h1-5H,11H2,(H,17,18)(H3,12,14,15,16)
InChIKeyGUFRQIQIYVWRRV-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.21
Rot. Bonds3

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

N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide (PubChem CID 19137173) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide
PubChem CID19137173
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC NameN'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide
SMILESNc1ncnc(NNC(=O)c2ccncc2)c1N
InChIInChI=1S/C10H11N7O/c11-7-8(12)14-5-15-9(7)16-17-10(18)6-1-3-13-4-2-6/h1-5H,11H2,(H,17,18)(H3,12,14,15,16)
InChIKeyGUFRQIQIYVWRRV-UHFFFAOYSA-N
XLogP-0.21
TPSA131.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.21
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-hydrazinylpyrimidin-4-yl)pyridine-4-carbohydrazide
CID 19150368
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983
N'-[5-amino-6-[2-(2-chlorobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151292
N'-[5-amino-6-[2-(2-bromobenzoyl)hydrazinyl]pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151370
N'-[5-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22542842
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-methoxyphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151878
N'-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19149224
N'-[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22543504
N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]pyridine-4-carbohydrazide
CID 19151839
N'-[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151744

Frequently Asked Questions

What is the IUPAC name of N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide (CID 19137173) is N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide is Nc1ncnc(NNC(=O)c2ccncc2)c1N.
What is the InChIKey of N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide?
The InChIKey is GUFRQIQIYVWRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O/c11-7-8(12)14-5-15-9(7)16-17-10(18)6-1-3-13-4-2-6/h1-5H,11H2,(H,17,18)(H3,12,14,15,16).
What are the key properties of N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide?
N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide has a molecular weight of 245.25 g/mol, XLogP of -0.21, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,6-diaminopyrimidin-4-yl)pyridine-4-carbohydrazide is sourced from PubChem (CID 19137173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).