5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

C13H17FN6 — CID 66936254

IUPAC5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(F)c(N(C)CCc2ccncc2)n1
InChIInChI=1S/C13H17FN6/c1-9-17-12(19-15)11(14)13(18-9)20(2)8-5-10-3-6-16-7-4-10/h3-4,6-7H,5,8,15H2,1-2H3,(H,17,18,19)
InChIKeyCTFSRBSWLFOSOT-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.28
Rot. Bonds5

About 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine

5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (PubChem CID 66936254) has the molecular formula C13H17FN6 and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
PubChem CID66936254
Molecular FormulaC13H17FN6
Molecular Weight276.32 g/mol
Exact Mass276.15
IUPAC Name5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(F)c(N(C)CCc2ccncc2)n1
InChIInChI=1S/C13H17FN6/c1-9-17-12(19-15)11(14)13(18-9)20(2)8-5-10-3-6-16-7-4-10/h3-4,6-7H,5,8,15H2,1-2H3,(H,17,18,19)
InChIKeyCTFSRBSWLFOSOT-UHFFFAOYSA-N
XLogP1.28
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
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 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine (CID 66936254) is 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is Cc1nc(NN)c(F)c(N(C)CCc2ccncc2)n1.
What is the InChIKey of 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is CTFSRBSWLFOSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6/c1-9-17-12(19-15)11(14)13(18-9)20(2)8-5-10-3-6-16-7-4-10/h3-4,6-7H,5,8,15H2,1-2H3,(H,17,18,19).
What are the key properties of 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine?
5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 276.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 66936254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).