N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine

C13H16FN5 — CID 80916335

IUPACN-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCCN(c1ccccc1C)c1nc(NN)ncc1F
InChIInChI=1S/C13H16FN5/c1-3-19(11-7-5-4-6-9(11)2)12-10(14)8-16-13(17-12)18-15/h4-8H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyTXQDKNPLELQPQO-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.37
Rot. Bonds4

About N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine

N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 80916335) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine
PubChem CID80916335
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC NameN-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine
SMILESCCN(c1ccccc1C)c1nc(NN)ncc1F
InChIInChI=1S/C13H16FN5/c1-3-19(11-7-5-4-6-9(11)2)12-10(14)8-16-13(17-12)18-15/h4-8H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyTXQDKNPLELQPQO-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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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Related Compounds

2-N,4-N-diethyl-5-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80753509
5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899397
5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80908250
2-N,4-N-diethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817690
5-bromo-4-N-ethyl-4-N-(2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80757604
2-[ethyl-(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]ethanol
CID 80898789
5-fluoro-2-hydrazinyl-N-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80931324
3-(N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)anilino)propanenitrile
CID 80916506
4-N-ethyl-4-N-(2-fluorophenyl)-5-methylpyrimidine-2,4-diamine
CID 80817689
N-ethyl-5-fluoro-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896411
N-cyclopentyl-N-ethyl-5-fluoro-2-hydrazinylpyrimidin-4-amine
CID 80907560
5-(2-aminoethyl)-N-ethyl-3-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 80633214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine (CID 80916335) is N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine is CCN(c1ccccc1C)c1nc(NN)ncc1F.
What is the InChIKey of N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is TXQDKNPLELQPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-3-19(11-7-5-4-6-9(11)2)12-10(14)8-16-13(17-12)18-15/h4-8H,3,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine?
N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80916335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).