2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine

C13H14FN3O — CID 80654842

IUPAC2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2ccccc2F)n1
InChIInChI=1S/C13H14FN3O/c1-9-7-12(15-2)17-13(16-9)8-18-11-6-4-3-5-10(11)14/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyALOLTCXXJVUDPL-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.54
Rot. Bonds4

About 2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80654842) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80654842
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2ccccc2F)n1
InChIInChI=1S/C13H14FN3O/c1-9-7-12(15-2)17-13(16-9)8-18-11-6-4-3-5-10(11)14/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyALOLTCXXJVUDPL-UHFFFAOYSA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80655015
2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654762
2-[(5-fluoro-2-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 102984950
2-[(3-chloro-2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116689908
2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80663952
2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 107170521
N,6-dimethyl-2-[(3-methyl-2-nitrophenoxy)methyl]pyrimidin-4-amine
CID 80664084
[6-methyl-2-[(2-propoxyphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80664443
N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80664311
6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
CID 80654286
6-(ethylamino)-2-[(2-fluorophenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82169857
2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 114676651

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (CID 80654842) is 2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(COc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ALOLTCXXJVUDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9-7-12(15-2)17-13(16-9)8-18-11-6-4-3-5-10(11)14/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 247.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80654842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).