5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine

C13H13FN2O2 — CID 70990513

IUPAC5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
SMILESCOc1ccc(COc2ncc(F)c(C)n2)cc1
InChIInChI=1S/C13H13FN2O2/c1-9-12(14)7-15-13(16-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3
InChIKeyAJPGEKTUEBNZPT-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.51
Rot. Bonds4

About 5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine

5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine (PubChem CID 70990513) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
PubChem CID70990513
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
SMILESCOc1ccc(COc2ncc(F)c(C)n2)cc1
InChIInChI=1S/C13H13FN2O2/c1-9-12(14)7-15-13(16-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3
InChIKeyAJPGEKTUEBNZPT-UHFFFAOYSA-N
XLogP2.51
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
CID 83183815
[2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidin-5-yl]methanol
CID 83183786
2-[(4-methoxyphenyl)methoxy]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)pyrimidine
CID 67283188
N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine
CID 59160754
2-(2,5-dimethylpyrrol-1-yl)-5-[(4-methoxyphenyl)methoxy]pyridine
CID 135394378
4-iodo-2-[(4-methoxyphenyl)methoxy]-5-methylpyridine
CID 157251524
N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide
CID 59160617
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
2-[(4-methoxyphenyl)methoxy]-6-methylpyridin-3-amine
CID 81133075
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
4-(cyclopropylmethyl)-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methoxy]pyrimidine
CID 153043969
2-[(4-methoxyphenyl)methoxy]azete
CID 70424831

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine?
The IUPAC name of 5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine (CID 70990513) is 5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine.
What is the SMILES notation for 5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine?
The canonical SMILES for 5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine is COc1ccc(COc2ncc(F)c(C)n2)cc1.
What is the InChIKey of 5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine?
The InChIKey is AJPGEKTUEBNZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-9-12(14)7-15-13(16-9)18-8-10-3-5-11(17-2)6-4-10/h3-7H,8H2,1-2H3.
What are the key properties of 5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine?
5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine has a molecular weight of 248.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine is sourced from PubChem (CID 70990513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).