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

C14H15F2N3O — CID 80989830

IUPAC6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(Oc2cccc(F)c2F)n1
InChIInChI=1S/C14H15F2N3O/c1-4-11-18-13(17-3)8(2)14(19-11)20-10-7-5-6-9(15)12(10)16/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyZZCVAZFZECWJKP-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.46
Rot. Bonds4

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

6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80989830) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80989830
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(Oc2cccc(F)c2F)n1
InChIInChI=1S/C14H15F2N3O/c1-4-11-18-13(17-3)8(2)14(19-11)20-10-7-5-6-9(15)12(10)16/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyZZCVAZFZECWJKP-UHFFFAOYSA-N
XLogP3.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine (CID 80989830) is 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(NC)c(C)c(Oc2cccc(F)c2F)n1.
What is the InChIKey of 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is ZZCVAZFZECWJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-4-11-18-13(17-3)8(2)14(19-11)20-10-7-5-6-9(15)12(10)16/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 279.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80989830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).