6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine

C9H13F2N3O — CID 82010667

IUPAC6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(OCC(F)F)c1C
InChIInChI=1S/C9H13F2N3O/c1-3-12-8-6(2)9(14-5-13-8)15-4-7(10)11/h5,7H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyNRNGJYFBIMFWJN-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.86
Rot. Bonds5

About 6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine

6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 82010667) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID82010667
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(OCC(F)F)c1C
InChIInChI=1S/C9H13F2N3O/c1-3-12-8-6(2)9(14-5-13-8)15-4-7(10)11/h5,7H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyNRNGJYFBIMFWJN-UHFFFAOYSA-N
XLogP1.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine (CID 82010667) is 6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(OCC(F)F)c1C.
What is the InChIKey of 6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is NRNGJYFBIMFWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-3-12-8-6(2)9(14-5-13-8)15-4-7(10)11/h5,7H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine?
6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 217.22 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 82010667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).