4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline

C19H17FN4O2 — CID 129170909

IUPAC4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline
SMILESC=NNc1ccc(Oc2cc(F)cc(OCc3cnc(C)nc3)c2)cc1
InChIInChI=1S/C19H17FN4O2/c1-13-22-10-14(11-23-13)12-25-18-7-15(20)8-19(9-18)26-17-5-3-16(4-6-17)24-21-2/h3-11,24H,2,12H2,1H3
InChIKeyFPYJBFAXSGHFBC-UHFFFAOYSA-N
MW352.37 g/mol
LogP4.32
Rot. Bonds7

About 4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline

4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline (PubChem CID 129170909) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline.

Molecular Properties

Compound Name4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline
PubChem CID129170909
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline
SMILESC=NNc1ccc(Oc2cc(F)cc(OCc3cnc(C)nc3)c2)cc1
InChIInChI=1S/C19H17FN4O2/c1-13-22-10-14(11-23-13)12-25-18-7-15(20)8-19(9-18)26-17-5-3-16(4-6-17)24-21-2/h3-11,24H,2,12H2,1H3
InChIKeyFPYJBFAXSGHFBC-UHFFFAOYSA-N
XLogP4.32
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline?
The IUPAC name of 4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline (CID 129170909) is 4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline.
What is the SMILES notation for 4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline?
The canonical SMILES for 4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline is C=NNc1ccc(Oc2cc(F)cc(OCc3cnc(C)nc3)c2)cc1.
What is the InChIKey of 4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline?
The InChIKey is FPYJBFAXSGHFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-13-22-10-14(11-23-13)12-25-18-7-15(20)8-19(9-18)26-17-5-3-16(4-6-17)24-21-2/h3-11,24H,2,12H2,1H3.
What are the key properties of 4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline?
4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline has a molecular weight of 352.37 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]-N-(methylideneamino)aniline is sourced from PubChem (CID 129170909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).