5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine

C14H23FN6 — CID 66936056

IUPAC5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine
SMILESCCc1nc(NN)c(F)c(N2CC(N(C)C)C3(CC3)C2)n1
InChIInChI=1S/C14H23FN6/c1-4-10-17-12(19-16)11(15)13(18-10)21-7-9(20(2)3)14(8-21)5-6-14/h9H,4-8,16H2,1-3H3,(H,17,18,19)
InChIKeyMIRHMVAESLJUQK-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.99
Rot. Bonds4

About 5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine

5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine (PubChem CID 66936056) has the molecular formula C14H23FN6 and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine.

Molecular Properties

Compound Name5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine
PubChem CID66936056
Molecular FormulaC14H23FN6
Molecular Weight294.38 g/mol
Exact Mass294.20
IUPAC Name5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine
SMILESCCc1nc(NN)c(F)c(N2CC(N(C)C)C3(CC3)C2)n1
InChIInChI=1S/C14H23FN6/c1-4-10-17-12(19-16)11(15)13(18-10)21-7-9(20(2)3)14(8-21)5-6-14/h9H,4-8,16H2,1-3H3,(H,17,18,19)
InChIKeyMIRHMVAESLJUQK-UHFFFAOYSA-N
XLogP0.99
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.99
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-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine?
The IUPAC name of 5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine (CID 66936056) is 5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine.
What is the SMILES notation for 5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine?
The canonical SMILES for 5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine is CCc1nc(NN)c(F)c(N2CC(N(C)C)C3(CC3)C2)n1.
What is the InChIKey of 5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine?
The InChIKey is MIRHMVAESLJUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN6/c1-4-10-17-12(19-16)11(15)13(18-10)21-7-9(20(2)3)14(8-21)5-6-14/h9H,4-8,16H2,1-3H3,(H,17,18,19).
What are the key properties of 5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine?
5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine has a molecular weight of 294.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-5-fluoro-6-hydrazinylpyrimidin-4-yl)-N,N-dimethyl-5-azaspiro[2.4]heptan-7-amine is sourced from PubChem (CID 66936056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).