6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine

C13H13F2N3O — CID 80880527

IUPAC6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2cccc(F)c2F)c1C
InChIInChI=1S/C13H13F2N3O/c1-7-12(16-3)17-8(2)18-13(7)19-10-6-4-5-9(14)11(10)15/h4-6H,1-3H3,(H,16,17,18)
InChIKeyHBZIQJAPQHHBQY-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.21
Rot. Bonds3

About 6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine

6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 80880527) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID80880527
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2cccc(F)c2F)c1C
InChIInChI=1S/C13H13F2N3O/c1-7-12(16-3)17-8(2)18-13(7)19-10-6-4-5-9(14)11(10)15/h4-6H,1-3H3,(H,16,17,18)
InChIKeyHBZIQJAPQHHBQY-UHFFFAOYSA-N
XLogP3.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80989830
6-(2,3-difluorophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80880333
6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine
CID 80876952
N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874515
6-(2-bromo-4-chlorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80881304
6-(5-bromo-2-methylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 107287427
6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80864394
2-cyclopropyl-6-(2,3-difluorophenoxy)-5-methylpyrimidin-4-amine
CID 80989930
N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80874986
[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870849
6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80862724
4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332516

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine (CID 80880527) is 6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(Oc2cccc(F)c2F)c1C.
What is the InChIKey of 6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is HBZIQJAPQHHBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-7-12(16-3)17-8(2)18-13(7)19-10-6-4-5-9(14)11(10)15/h4-6H,1-3H3,(H,16,17,18).
What are the key properties of 6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine?
6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 265.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 80880527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).