5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine

C13H16FN5O — CID 80896455

IUPAC5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCOc1ccccc1CN(C)c1nc(NN)ncc1F
InChIInChI=1S/C13H16FN5O/c1-19(8-9-5-3-4-6-11(9)20-2)12-10(14)7-16-13(17-12)18-15/h3-7H,8,15H2,1-2H3,(H,16,17,18)
InChIKeyMFROIUHENMXNAK-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.55
Rot. Bonds5

About 5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine

5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 80896455) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID80896455
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCOc1ccccc1CN(C)c1nc(NN)ncc1F
InChIInChI=1S/C13H16FN5O/c1-19(8-9-5-3-4-6-11(9)20-2)12-10(14)7-16-13(17-12)18-15/h3-7H,8,15H2,1-2H3,(H,16,17,18)
InChIKeyMFROIUHENMXNAK-UHFFFAOYSA-N
XLogP1.55
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
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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Related Compounds

5-fluoro-2-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80899397
5-fluoro-2-hydrazinyl-N-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907282
5-fluoro-2-N,4-N-dimethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80794294
5-fluoro-N-(2-fluorophenyl)-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80908250
5-fluoro-4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777771
3-[[(5-fluoro-2-hydrazinylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80921680
5-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 80630731
3-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418333
N-[(2-methoxyphenyl)methyl]-N-methylthieno[2,3-c]pyridin-7-amine
CID 119050522
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80899995
N-[(2-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 171327101
5-bromo-N-[(4-fluorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80898833

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine (CID 80896455) is 5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine is COc1ccccc1CN(C)c1nc(NN)ncc1F.
What is the InChIKey of 5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is MFROIUHENMXNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c1-19(8-9-5-3-4-6-11(9)20-2)12-10(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-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine?
5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 277.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80896455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).