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

C13H13F2N3O — CID 80654762

IUPAC2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C13H13F2N3O/c1-8-5-12(16-2)18-13(17-8)7-19-11-4-3-9(14)6-10(11)15/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyFTZBQFUDJXCDCB-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.68
Rot. Bonds4

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

2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80654762) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80654762
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C13H13F2N3O/c1-8-5-12(16-2)18-13(17-8)7-19-11-4-3-9(14)6-10(11)15/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyFTZBQFUDJXCDCB-UHFFFAOYSA-N
XLogP2.68
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
2-[(5-fluoro-2-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 102984950
2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80655015
2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 107170521
6-[(2,4-difluorophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239177
2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80663952
N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80664311
N,6-dimethyl-2-[(3-methyl-2-nitrophenoxy)methyl]pyrimidin-4-amine
CID 80664084
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66065128
[2-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656343
2-[(4-fluoro-N-methylanilino)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657940
6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 38934992

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (CID 80654762) is 2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(COc2ccc(F)cc2F)n1.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is FTZBQFUDJXCDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-8-5-12(16-2)18-13(17-8)7-19-11-4-3-9(14)6-10(11)15/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 265.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80654762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).