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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Related Compounds

5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118119801
3-amino-5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-2-propan-2-yl-3,4-dihydropyrazole-4-carbonitrile
CID 123694469
3-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-4-isocyano-1-propan-2-ylpyrazol-5-amine
CID 123399651
3-cyclopentyl-1-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 72721685
3-[4-amino-5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]pyrrolo[3,2-d]pyrimidin-7-yl]cyclobutan-1-ol
CID 118103129
3-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72695153
6-[4-[(3,5-difluorophenyl)methoxy]phenoxy]pyridin-3-amine
CID 139794421
5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-7-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 118119789
2-[[[6-amino-5-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]benzenecarboximidoyl]pyrimidin-4-yl]amino]methyl]pyrrolidine-1-carbaldehyde
CID 145192640
N-[3-ethanimidoyl-4-[4-[3-fluoro-5-[(2-methylpyrimidin-5-yl)methoxy]phenoxy]phenyl]-1-(pyrrolidin-2-ylmethyl)pyrrol-2-yl]-2-methylpropan-1-imine
CID 123513511
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
CID 106530587

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).