5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine

C13H16FN5 — CID 80899397

IUPAC5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccccc1CN(C)c1nc(NN)ncc1F
InChIInChI=1S/C13H16FN5/c1-9-5-3-4-6-10(9)8-19(2)12-11(14)7-16-13(17-12)18-15/h3-7H,8,15H2,1-2H3,(H,16,17,18)
InChIKeyQXTQYNCGXOTKEL-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.85
Rot. Bonds4

About 5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 80899397) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID80899397
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCc1ccccc1CN(C)c1nc(NN)ncc1F
InChIInChI=1S/C13H16FN5/c1-9-5-3-4-6-10(9)8-19(2)12-11(14)7-16-13(17-12)18-15/h3-7H,8,15H2,1-2H3,(H,16,17,18)
InChIKeyQXTQYNCGXOTKEL-UHFFFAOYSA-N
XLogP1.85
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine (CID 80899397) is 5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine is Cc1ccccc1CN(C)c1nc(NN)ncc1F.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is QXTQYNCGXOTKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-9-5-3-4-6-10(9)8-19(2)12-11(14)7-16-13(17-12)18-15/h3-7H,8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80899397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).