6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine

C10H15F2N3O — CID 82010531

IUPAC6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCC(F)F)c1C
InChIInChI=1S/C10H15F2N3O/c1-3-4-13-9-7(2)10(15-6-14-9)16-5-8(11)12/h6,8H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyDUGLEDZTEVYOGJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.25
Rot. Bonds6

About 6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine

6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 82010531) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID82010531
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCC(F)F)c1C
InChIInChI=1S/C10H15F2N3O/c1-3-4-13-9-7(2)10(15-6-14-9)16-5-8(11)12/h6,8H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyDUGLEDZTEVYOGJ-UHFFFAOYSA-N
XLogP2.25
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.25
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)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine (CID 82010531) is 6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(OCC(F)F)c1C.
What is the InChIKey of 6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is DUGLEDZTEVYOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-3-4-13-9-7(2)10(15-6-14-9)16-5-8(11)12/h6,8H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine?
6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 231.25 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 82010531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).