2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine

C18H19FN2O2 — CID 82239954

IUPAC2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCOc1ccc(COc2cccc(F)c2C2=NCCCN2)cc1
InChIInChI=1S/C18H19FN2O2/c1-22-14-8-6-13(7-9-14)12-23-16-5-2-4-15(19)17(16)18-20-10-3-11-21-18/h2,4-9H,3,10-12H2,1H3,(H,20,21)
InChIKeyVRIQLUUHMVUHHO-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.15
Rot. Bonds5

About 2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine

2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82239954) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82239954
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCOc1ccc(COc2cccc(F)c2C2=NCCCN2)cc1
InChIInChI=1S/C18H19FN2O2/c1-22-14-8-6-13(7-9-14)12-23-16-5-2-4-15(19)17(16)18-20-10-3-11-21-18/h2,4-9H,3,10-12H2,1H3,(H,20,21)
InChIKeyVRIQLUUHMVUHHO-UHFFFAOYSA-N
XLogP3.15
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide
CID 82248895
2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82244851
5-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-amine
CID 166147884
8-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methoxy]quinoline
CID 82240060
2-[2-(4-chloro-3,5-dimethylphenoxy)-6-fluorophenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240421
2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline
CID 82249804
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249355
3-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 82246799
2-[2-[(4-bromophenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252851
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252898

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine (CID 82239954) is 2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine is COc1ccc(COc2cccc(F)c2C2=NCCCN2)cc1.
What is the InChIKey of 2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is VRIQLUUHMVUHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-22-14-8-6-13(7-9-14)12-23-16-5-2-4-15(19)17(16)18-20-10-3-11-21-18/h2,4-9H,3,10-12H2,1H3,(H,20,21).
What are the key properties of 2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 314.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82239954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).