6-(2,2-difluoroethoxy)pyrimidin-4-amine

C6H7F2N3O — CID 22909956

IUPAC6-(2,2-difluoroethoxy)pyrimidin-4-amine
SMILESNc1cc(OCC(F)F)ncn1
InChIInChI=1S/C6H7F2N3O/c7-4(8)2-12-6-1-5(9)10-3-11-6/h1,3-4H,2H2,(H2,9,10,11)
InChIKeyCDONURLTYHHVLT-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.70
Rot. Bonds3

About 6-(2,2-difluoroethoxy)pyrimidin-4-amine

6-(2,2-difluoroethoxy)pyrimidin-4-amine (PubChem CID 22909956) has the molecular formula C6H7F2N3O and a molecular weight of 175.14 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)pyrimidin-4-amine
PubChem CID22909956
Molecular FormulaC6H7F2N3O
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Name6-(2,2-difluoroethoxy)pyrimidin-4-amine
SMILESNc1cc(OCC(F)F)ncn1
InChIInChI=1S/C6H7F2N3O/c7-4(8)2-12-6-1-5(9)10-3-11-6/h1,3-4H,2H2,(H2,9,10,11)
InChIKeyCDONURLTYHHVLT-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 6-(2,2-difluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 6-(2,2-difluoroethoxy)pyrimidin-4-amine (CID 22909956) is 6-(2,2-difluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-(2,2-difluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 6-(2,2-difluoroethoxy)pyrimidin-4-amine is Nc1cc(OCC(F)F)ncn1.
What is the InChIKey of 6-(2,2-difluoroethoxy)pyrimidin-4-amine?
The InChIKey is CDONURLTYHHVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O/c7-4(8)2-12-6-1-5(9)10-3-11-6/h1,3-4H,2H2,(H2,9,10,11).
What are the key properties of 6-(2,2-difluoroethoxy)pyrimidin-4-amine?
6-(2,2-difluoroethoxy)pyrimidin-4-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 6-(2,2-difluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 22909956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).