4-(2,2-difluoroethoxy)pyrimidin-2-amine

C6H7F2N3O — CID 82009217

IUPAC4-(2,2-difluoroethoxy)pyrimidin-2-amine
SMILESNc1nccc(OCC(F)F)n1
InChIInChI=1S/C6H7F2N3O/c7-4(8)3-12-5-1-2-10-6(9)11-5/h1-2,4H,3H2,(H2,9,10,11)
InChIKeySAVUWOAMEFTZOD-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.70
Rot. Bonds3

About 4-(2,2-difluoroethoxy)pyrimidin-2-amine

4-(2,2-difluoroethoxy)pyrimidin-2-amine (PubChem CID 82009217) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)pyrimidin-2-amine
PubChem CID82009217
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name4-(2,2-difluoroethoxy)pyrimidin-2-amine
SMILESNc1nccc(OCC(F)F)n1
InChIInChI=1S/C6H7F2N3O/c7-4(8)3-12-5-1-2-10-6(9)11-5/h1-2,4H,3H2,(H2,9,10,11)
InChIKeySAVUWOAMEFTZOD-UHFFFAOYSA-N
XLogP0.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)pyrimidin-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)pyrimidin-2-amine (CID 82009217) is 4-(2,2-difluoroethoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)pyrimidin-2-amine is Nc1nccc(OCC(F)F)n1.
What is the InChIKey of 4-(2,2-difluoroethoxy)pyrimidin-2-amine?
The InChIKey is SAVUWOAMEFTZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-4(8)3-12-5-1-2-10-6(9)11-5/h1-2,4H,3H2,(H2,9,10,11).
What are the key properties of 4-(2,2-difluoroethoxy)pyrimidin-2-amine?
4-(2,2-difluoroethoxy)pyrimidin-2-amine has a molecular weight of 175.14 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)pyrimidin-2-amine is sourced from PubChem (CID 82009217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).