2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C10H12N6 — CID 80944833

IUPAC2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1nccc(NCc2cccnc2)n1
InChIInChI=1S/C10H12N6/c11-16-10-13-5-3-9(15-10)14-7-8-2-1-4-12-6-8/h1-6H,7,11H2,(H2,13,14,15,16)
InChIKeyQGPUYTOGCIOIGA-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.77
Rot. Bonds4

About 2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 80944833) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID80944833
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESNNc1nccc(NCc2cccnc2)n1
InChIInChI=1S/C10H12N6/c11-16-10-13-5-3-9(15-10)14-7-8-2-1-4-12-6-8/h1-6H,7,11H2,(H2,13,14,15,16)
InChIKeyQGPUYTOGCIOIGA-UHFFFAOYSA-N
XLogP0.77
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893591
2-N-(4-ethylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893462
N-[(3-bromophenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80899114
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
2-N-(4-phenoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893518
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 106901045
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893554
2-N-(2-propan-2-ylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893465
4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112884771
4-N-(4-bromophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893614

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 80944833) is 2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is NNc1nccc(NCc2cccnc2)n1.
What is the InChIKey of 2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is QGPUYTOGCIOIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c11-16-10-13-5-3-9(15-10)14-7-8-2-1-4-12-6-8/h1-6H,7,11H2,(H2,13,14,15,16).
What are the key properties of 2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 216.25 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80944833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).