4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine

C11H13FN6 — CID 80943551

IUPAC4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESNNc1cc(NCc2ccc(F)cc2)nc(N)n1
InChIInChI=1S/C11H13FN6/c12-8-3-1-7(2-4-8)6-15-9-5-10(18-14)17-11(13)16-9/h1-5H,6,14H2,(H4,13,15,16,17,18)
InChIKeyPWYITICFXORLEN-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.10
Rot. Bonds4

About 4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine

4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine (PubChem CID 80943551) has the molecular formula C11H13FN6 and a molecular weight of 248.27 g/mol. Its IUPAC name is 4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
PubChem CID80943551
Molecular FormulaC11H13FN6
Molecular Weight248.27 g/mol
Exact Mass248.12
IUPAC Name4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
SMILESNNc1cc(NCc2ccc(F)cc2)nc(N)n1
InChIInChI=1S/C11H13FN6/c12-8-3-1-7(2-4-8)6-15-9-5-10(18-14)17-11(13)16-9/h1-5H,6,14H2,(H4,13,15,16,17,18)
InChIKeyPWYITICFXORLEN-UHFFFAOYSA-N
XLogP1.10
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.10
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 4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine (CID 80943551) is 4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine is NNc1cc(NCc2ccc(F)cc2)nc(N)n1.
What is the InChIKey of 4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine?
The InChIKey is PWYITICFXORLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN6/c12-8-3-1-7(2-4-8)6-15-9-5-10(18-14)17-11(13)16-9/h1-5H,6,14H2,(H4,13,15,16,17,18).
What are the key properties of 4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine?
4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine has a molecular weight of 248.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-fluorophenyl)methyl]-6-hydrazinylpyrimidine-2,4-diamine is sourced from PubChem (CID 80943551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).