2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine

C13H16FN5 — CID 80939549

IUPAC2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCc2cccc(F)c2)n1
InChIInChI=1S/C13H16FN5/c1-2-11-17-12(7-13(18-11)19-15)16-8-9-4-3-5-10(14)6-9/h3-7H,2,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyZMFNUVIAEHFUEN-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.08
Rot. Bonds5

About 2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine

2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine (PubChem CID 80939549) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
PubChem CID80939549
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine
SMILESCCc1nc(NN)cc(NCc2cccc(F)c2)n1
InChIInChI=1S/C13H16FN5/c1-2-11-17-12(7-13(18-11)19-15)16-8-9-4-3-5-10(14)6-9/h3-7H,2,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyZMFNUVIAEHFUEN-UHFFFAOYSA-N
XLogP2.08
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.08
H-Bond Donors ≤ 53
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

6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80940455
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771670
2-ethyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80937932
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
[2-[(3-fluorophenyl)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 62251604
2-ethyl-N-(furan-2-ylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80937643
2-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80939677
2-ethyl-6-hydrazinyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 80937217
2-ethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4,6-diamine
CID 80939664
4-N-[(3,4-difluorophenyl)methyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934939
N,2-diethyl-6-(3-fluorophenyl)pyrimidin-4-amine
CID 80936579
4-N-[(3-fluorophenyl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053013

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine (CID 80939549) is 2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine is CCc1nc(NN)cc(NCc2cccc(F)c2)n1.
What is the InChIKey of 2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine?
The InChIKey is ZMFNUVIAEHFUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-2-11-17-12(7-13(18-11)19-15)16-8-9-4-3-5-10(14)6-9/h3-7H,2,8,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine?
2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-fluorophenyl)methyl]-6-hydrazinylpyrimidin-4-amine is sourced from PubChem (CID 80939549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).