4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine

C12H12FN3O2 — CID 107655439

IUPAC4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine
SMILESCOc1ncnc(Oc2cccc(C)c2F)c1N
InChIInChI=1S/C12H12FN3O2/c1-7-4-3-5-8(9(7)13)18-12-10(14)11(17-2)15-6-16-12/h3-6H,14H2,1-2H3
InChIKeyXQWYGMYJFRSTNI-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.31
Rot. Bonds3

About 4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine

4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine (PubChem CID 107655439) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine
PubChem CID107655439
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine
SMILESCOc1ncnc(Oc2cccc(C)c2F)c1N
InChIInChI=1S/C12H12FN3O2/c1-7-4-3-5-8(9(7)13)18-12-10(14)11(17-2)15-6-16-12/h3-6H,14H2,1-2H3
InChIKeyXQWYGMYJFRSTNI-UHFFFAOYSA-N
XLogP2.31
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine
CID 107655411
3-amino-2-(2-fluoro-3-methylphenoxy)pyridine-4-carboxylic acid
CID 107659996
3-(2-fluoro-3-methylphenoxy)quinoxalin-2-amine
CID 107662445
6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 116691260
4-(2-methoxyphenoxy)-6-(2-methylquinolin-8-yl)oxypyrimidin-5-amine
CID 19142034
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80863928
2-(2-fluoro-3-methylphenoxy)pyrimidin-4-amine
CID 107662449
6-(2-fluoro-3-methylphenoxy)quinolin-5-amine
CID 107655430
2-(2-fluoro-3-methylphenoxy)-6-propan-2-yloxyaniline
CID 107655528
[5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol
CID 146290878
6-(2-methoxyphenoxy)-4-N-methylpyrimidine-4,5-diamine
CID 19135149
2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide
CID 107655417

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine?
The IUPAC name of 4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine (CID 107655439) is 4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine.
What is the SMILES notation for 4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine?
The canonical SMILES for 4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine is COc1ncnc(Oc2cccc(C)c2F)c1N.
What is the InChIKey of 4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine?
The InChIKey is XQWYGMYJFRSTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7-4-3-5-8(9(7)13)18-12-10(14)11(17-2)15-6-16-12/h3-6H,14H2,1-2H3.
What are the key properties of 4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine?
4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine has a molecular weight of 249.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenoxy)-6-methoxypyrimidin-5-amine is sourced from PubChem (CID 107655439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).