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

C12H15FN6 — CID 66936110

IUPAC5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(F)c(N(C)Cc2ccncc2)n1
InChIInChI=1S/C12H15FN6/c1-8-16-11(18-14)10(13)12(17-8)19(2)7-9-3-5-15-6-4-9/h3-6H,7,14H2,1-2H3,(H,16,17,18)
InChIKeyZAISZDRPDOWVFB-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.24
Rot. Bonds4

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

5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 66936110) has the molecular formula C12H15FN6 and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
PubChem CID66936110
Molecular FormulaC12H15FN6
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(NN)c(F)c(N(C)Cc2ccncc2)n1
InChIInChI=1S/C12H15FN6/c1-8-16-11(18-14)10(13)12(17-8)19(2)7-9-3-5-15-6-4-9/h3-6H,7,14H2,1-2H3,(H,16,17,18)
InChIKeyZAISZDRPDOWVFB-UHFFFAOYSA-N
XLogP1.24
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.24
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-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine (CID 66936110) is 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine is Cc1nc(NN)c(F)c(N(C)Cc2ccncc2)n1.
What is the InChIKey of 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZAISZDRPDOWVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6/c1-8-16-11(18-14)10(13)12(17-8)19(2)7-9-3-5-15-6-4-9/h3-6H,7,14H2,1-2H3,(H,16,17,18).
What are the key properties of 5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine?
5-fluoro-6-hydrazinyl-N,2-dimethyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 262.29 g/mol, XLogP of 1.24, 4 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-(pyridin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66936110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).