2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine

C13H13F2N3O — CID 80655015

IUPAC2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2cccc(F)c2F)n1
InChIInChI=1S/C13H13F2N3O/c1-8-6-11(16-2)18-12(17-8)7-19-10-5-3-4-9(14)13(10)15/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyXGNBIEDPVMITAQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.68
Rot. Bonds4

About 2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80655015) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80655015
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2cccc(F)c2F)n1
InChIInChI=1S/C13H13F2N3O/c1-8-6-11(16-2)18-12(17-8)7-19-10-5-3-4-9(14)13(10)15/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyXGNBIEDPVMITAQ-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (CID 80655015) is 2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(COc2cccc(F)c2F)n1.
What is the InChIKey of 2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is XGNBIEDPVMITAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-8-6-11(16-2)18-12(17-8)7-19-10-5-3-4-9(14)13(10)15/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(2,3-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-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80655015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).