2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

C11H14N6 — CID 80899162

IUPAC2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESNNc1nccc(NCCc2ccncc2)n1
InChIInChI=1S/C11H14N6/c12-17-11-15-8-4-10(16-11)14-7-3-9-1-5-13-6-2-9/h1-2,4-6,8H,3,7,12H2,(H2,14,15,16,17)
InChIKeyFMBHTCPHBXNSOU-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.81
Rot. Bonds5

About 2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 80899162) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID80899162
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESNNc1nccc(NCCc2ccncc2)n1
InChIInChI=1S/C11H14N6/c12-17-11-15-8-4-10(16-11)14-7-3-9-1-5-13-6-2-9/h1-2,4-6,8H,3,7,12H2,(H2,14,15,16,17)
InChIKeyFMBHTCPHBXNSOU-UHFFFAOYSA-N
XLogP0.81
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.81
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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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (CID 80899162) is 2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is NNc1nccc(NCCc2ccncc2)n1.
What is the InChIKey of 2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is FMBHTCPHBXNSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c12-17-11-15-8-4-10(16-11)14-7-3-9-1-5-13-6-2-9/h1-2,4-6,8H,3,7,12H2,(H2,14,15,16,17).
What are the key properties of 2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 230.28 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80899162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).