2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine

C8H11F2N3O — CID 121204966

IUPAC2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine
SMILESCc1nc(OCC(F)F)nc(C)c1N
InChIInChI=1S/C8H11F2N3O/c1-4-7(11)5(2)13-8(12-4)14-3-6(9)10/h6H,3,11H2,1-2H3
InChIKeyCNAFADIXCOPWNJ-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.32
Rot. Bonds3

About 2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine

2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine (PubChem CID 121204966) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine
PubChem CID121204966
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine
SMILESCc1nc(OCC(F)F)nc(C)c1N
InChIInChI=1S/C8H11F2N3O/c1-4-7(11)5(2)13-8(12-4)14-3-6(9)10/h6H,3,11H2,1-2H3
InChIKeyCNAFADIXCOPWNJ-UHFFFAOYSA-N
XLogP1.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine (CID 121204966) is 2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine is Cc1nc(OCC(F)F)nc(C)c1N.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine?
The InChIKey is CNAFADIXCOPWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-4-7(11)5(2)13-8(12-4)14-3-6(9)10/h6H,3,11H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine?
2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine has a molecular weight of 203.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4,6-dimethylpyrimidin-5-amine is sourced from PubChem (CID 121204966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).