2-fluoro-5-hydrazinylpyrimidine-4,6-diamine

C4H7FN6 — CID 170597269

IUPAC2-fluoro-5-hydrazinylpyrimidine-4,6-diamine
SMILESNNc1c(N)nc(F)nc1N
InChIInChI=1S/C4H7FN6/c5-4-9-2(6)1(11-8)3(7)10-4/h11H,8H2,(H4,6,7,9,10)
InChIKeyRNPDIGKJHFTAAS-UHFFFAOYSA-N
MW158.14 g/mol
LogP-0.93
Rot. Bonds1

About 2-fluoro-5-hydrazinylpyrimidine-4,6-diamine

2-fluoro-5-hydrazinylpyrimidine-4,6-diamine (PubChem CID 170597269) has the molecular formula C4H7FN6 and a molecular weight of 158.14 g/mol. Its IUPAC name is 2-fluoro-5-hydrazinylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-fluoro-5-hydrazinylpyrimidine-4,6-diamine
PubChem CID170597269
Molecular FormulaC4H7FN6
Molecular Weight158.14 g/mol
Exact Mass158.07
IUPAC Name2-fluoro-5-hydrazinylpyrimidine-4,6-diamine
SMILESNNc1c(N)nc(F)nc1N
InChIInChI=1S/C4H7FN6/c5-4-9-2(6)1(11-8)3(7)10-4/h11H,8H2,(H4,6,7,9,10)
InChIKeyRNPDIGKJHFTAAS-UHFFFAOYSA-N
XLogP-0.93
TPSA115.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
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-fluoro-5-hydrazinylpyrimidine-4,6-diamine?
The IUPAC name of 2-fluoro-5-hydrazinylpyrimidine-4,6-diamine (CID 170597269) is 2-fluoro-5-hydrazinylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-fluoro-5-hydrazinylpyrimidine-4,6-diamine?
The canonical SMILES for 2-fluoro-5-hydrazinylpyrimidine-4,6-diamine is NNc1c(N)nc(F)nc1N.
What is the InChIKey of 2-fluoro-5-hydrazinylpyrimidine-4,6-diamine?
The InChIKey is RNPDIGKJHFTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN6/c5-4-9-2(6)1(11-8)3(7)10-4/h11H,8H2,(H4,6,7,9,10).
What are the key properties of 2-fluoro-5-hydrazinylpyrimidine-4,6-diamine?
2-fluoro-5-hydrazinylpyrimidine-4,6-diamine has a molecular weight of 158.14 g/mol, XLogP of -0.93, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-hydrazinylpyrimidine-4,6-diamine is sourced from PubChem (CID 170597269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).